2-amino-3-chloro-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;1-(2,4-difluorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-1H-indole-5-carboxamide;N-[4-methyl-3-(3-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide

C119H90ClF8N15O5 — CID 158970579

IUPAC2-amino-3-chloro-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;1-(2,4-difluorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-1H-indole-5-carboxamide;N-[4-methyl-3-(3-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc(-c2ccn[nH]2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc(-n2cccn2)c1.Cc1ccc(NC(=O)c2cccc(Cl)c2N)cc1-c1ccc2ccncc2c1
InChIInChI=1S/C25H19N3O.2C24H18F3N3O.C23H18ClN3O.C23H17F2N3O/c1-16-2-6-22(28-25(29)20-5-7-24-19(13-20)9-11-27-24)14-23(16)18-4-3-17-8-10-26-15-21(17)12-18;1-16-9-10-20(29-23(31)18-6-2-7-19(13-18)24(25,26)27)15-22(16)17-5-3-8-21(14-17)30-12-4-11-28-30;1-15-8-9-20(29-23(31)18-6-3-7-19(13-18)24(25,26)27)14-21(15)16-4-2-5-17(12-16)22-10-11-28-30-22;1-14-5-8-18(27-23(28)19-3-2-4-21(24)22(19)25)12-20(14)16-7-6-15-9-10-26-13-17(15)11-16;1-14-2-6-19(27-23(29)28-22-7-5-18(24)11-21(22)25)12-20(14)16-4-3-15-8-9-26-13-17(15)10-16/h2-15,27H,1H3,(H,28,29);2-15H,1H3,(H,29,31);2-14H,1H3,(H,28,30)(H,29,31);2-13H,25H2,1H3,(H,27,28);2-13H,1H3,(H2,27,28,29)
InChIKeyJNTMKVIDLUGHGZ-UHFFFAOYSA-N
MW1997.57 g/mol
LogP30.22
Rot. Bonds17

About 2-amino-3-chloro-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;1-(2,4-difluorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-1H-indole-5-carboxamide;N-[4-methyl-3-(3-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide

2-amino-3-chloro-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;1-(2,4-difluorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-1H-indole-5-carboxamide;N-[4-methyl-3-(3-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 158970579) has the molecular formula C119H90ClF8N15O5 and a molecular weight of 1997.57 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;1-(2,4-difluorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-1H-indole-5-carboxamide;N-[4-methyl-3-(3-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;1-(2,4-difluorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-1H-indole-5-carboxamide;N-[4-methyl-3-(3-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID158970579
Molecular FormulaC119H90ClF8N15O5
Molecular Weight1997.57 g/mol
Exact Mass1995.68
IUPAC Name2-amino-3-chloro-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;1-(2,4-difluorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-1H-indole-5-carboxamide;N-[4-methyl-3-(3-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc(-c2ccn[nH]2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc(-n2cccn2)c1.Cc1ccc(NC(=O)c2cccc(Cl)c2N)cc1-c1ccc2ccncc2c1
InChIInChI=1S/C25H19N3O.2C24H18F3N3O.C23H18ClN3O.C23H17F2N3O/c1-16-2-6-22(28-25(29)20-5-7-24-19(13-20)9-11-27-24)14-23(16)18-4-3-17-8-10-26-15-21(17)12-18;1-16-9-10-20(29-23(31)18-6-2-7-19(13-18)24(25,26)27)15-22(16)17-5-3-8-21(14-17)30-12-4-11-28-30;1-15-8-9-20(29-23(31)18-6-3-7-19(13-18)24(25,26)27)14-21(15)16-4-2-5-17(12-16)22-10-11-28-30-22;1-14-5-8-18(27-23(28)19-3-2-4-21(24)22(19)25)12-20(14)16-7-6-15-9-10-26-13-17(15)11-16;1-14-2-6-19(27-23(29)28-22-7-5-18(24)11-21(22)25)12-20(14)16-4-3-15-8-9-26-13-17(15)10-16/h2-15,27H,1H3,(H,28,29);2-15H,1H3,(H,29,31);2-14H,1H3,(H,28,30)(H,29,31);2-13H,25H2,1H3,(H,27,28);2-13H,1H3,(H2,27,28,29)
InChIKeyJNTMKVIDLUGHGZ-UHFFFAOYSA-N
XLogP30.22
TPSA284.51 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001997.57
LogP ≤ 530.22
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-3-chloro-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;1-(2,4-difluorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-1H-indole-5-carboxamide;N-[4-methyl-3-(3-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

9-(6-amino-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-amino-3-pyridinyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(2-methyl-1,3-dihydroisoindol-5-yl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 157784741
8-chloro-2-(4,5-dimethyl-3H-inden-1-yl)quinoline;8-fluoro-2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline;N-methyl-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline
CID 158642278
(7-chloro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-fluoro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-fluoro-6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1-propan-2-ylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrazolo[4,3-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158740381
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;3-(cyclohexen-1-yl)-1H-indazol-5-amine;bis(N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)
CID 158864127
1-(2-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-cyclohexyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;5-cyclopropyl-N-(3-isoquinolin-7-yl-4-methylphenyl)-4H-pyrazole-3-carboxamide;N-(3-isoquinolin-5-yl-4-methylphenyl)-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide
CID 159215273
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;3-(cyclohexen-1-yl)-1H-indazol-5-amine;methane;bis(N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)
CID 159227199
9-(6-amino-3-pyridinyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(2-methyl-1,3-dihydroisoindol-5-yl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 159444079
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;bis(5-fluoro-2-[[2-(1H-isoindol-5-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide);1H-indazol-5-amine
CID 159598702
1-(3-chloro-4-methylphenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2-thiophen-3-ylacetamide;1-(3-isoquinolin-7-yl-4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea;5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide
CID 160631579
4-[4-[4-Chloro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[4-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide
CID 160747170
8-chloro-2-(4,5-dimethyl-3H-inden-1-yl)quinoline;8-fluoro-2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(7-methyl-1H-indol-3-yl)-5-(trifluoromethyl)quinoline;7-methyl-2-(7-methyl-1H-indol-3-yl)quinoline;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline
CID 160976820
5-[(4-cyanophenyl)methyl]-N-[(5-methyl-2H-indazol-3-yl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 161354340

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;1-(2,4-difluorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-1H-indole-5-carboxamide;N-[4-methyl-3-(3-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;1-(2,4-difluorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-1H-indole-5-carboxamide;N-[4-methyl-3-(3-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide (CID 158970579) is 2-amino-3-chloro-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;1-(2,4-difluorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-1H-indole-5-carboxamide;N-[4-methyl-3-(3-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;1-(2,4-difluorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-1H-indole-5-carboxamide;N-[4-methyl-3-(3-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;1-(2,4-difluorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-1H-indole-5-carboxamide;N-[4-methyl-3-(3-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc(-c2ccn[nH]2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc(-n2cccn2)c1.Cc1ccc(NC(=O)c2cccc(Cl)c2N)cc1-c1ccc2ccncc2c1.
What is the InChIKey of 2-amino-3-chloro-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;1-(2,4-difluorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-1H-indole-5-carboxamide;N-[4-methyl-3-(3-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is JNTMKVIDLUGHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O.2C24H18F3N3O.C23H18ClN3O.C23H17F2N3O/c1-16-2-6-22(28-25(29)20-5-7-24-19(13-20)9-11-27-24)14-23(16)18-4-3-17-8-10-26-15-21(17)12-18;1-16-9-10-20(29-23(31)18-6-2-7-19(13-18)24(25,26)27)15-22(16)17-5-3-8-21(14-17)30-12-4-11-28-30;1-15-8-9-20(29-23(31)18-6-3-7-19(13-18)24(25,26)27)14-21(15)16-4-2-5-17(12-16)22-10-11-28-30-22;1-14-5-8-18(27-23(28)19-3-2-4-21(24)22(19)25)12-20(14)16-7-6-15-9-10-26-13-17(15)11-16;1-14-2-6-19(27-23(29)28-22-7-5-18(24)11-21(22)25)12-20(14)16-4-3-15-8-9-26-13-17(15)10-16/h2-15,27H,1H3,(H,28,29);2-15H,1H3,(H,29,31);2-14H,1H3,(H,28,30)(H,29,31);2-13H,25H2,1H3,(H,27,28);2-13H,1H3,(H2,27,28,29).
What are the key properties of 2-amino-3-chloro-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;1-(2,4-difluorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-1H-indole-5-carboxamide;N-[4-methyl-3-(3-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide?
2-amino-3-chloro-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;1-(2,4-difluorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-1H-indole-5-carboxamide;N-[4-methyl-3-(3-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1997.57 g/mol, XLogP of 30.22, 17 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;1-(2,4-difluorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-1H-indole-5-carboxamide;N-[4-methyl-3-(3-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158970579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).