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

C113H88ClF9N14O6S — CID 160631579

IUPAC1-(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
SMILESCc1ccc(NC(=O)Cc2ccsc2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)Nc2ccc(C)c(-c3ccc4ccncc4c3)c2)cc1Cl.Cc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cncc(C(N)=O)c1
InChIInChI=1S/C24H20ClN3O.C24H18F3N3O.C22H16F3N3O.C22H18N2OS.C21H16F3N3O2/c1-15-3-7-20(27-24(29)28-21-8-4-16(2)23(25)13-21)12-22(15)18-6-5-17-9-10-26-14-19(17)11-18;1-15-6-9-19(13-20(15)17-8-7-16-10-11-28-14-18(16)12-17)29-23(31)30-22-5-3-2-4-21(22)24(25,26)27;1-13-5-8-18(11-19(13)14-6-7-16-12-26-28-20(16)10-14)27-21(29)15-3-2-4-17(9-15)22(23,24)25;1-15-2-5-20(24-22(25)10-16-7-9-26-14-16)12-21(15)18-4-3-17-6-8-23-13-19(17)11-18;1-12-5-6-17(9-18(12)14-7-15(19(25)28)11-26-10-14)27-20(29)13-3-2-4-16(8-13)21(22,23)24/h3-14H,1-2H3,(H2,27,28,29);2-14H,1H3,(H2,29,30,31);2-12H,1H3,(H,26,28)(H,27,29);2-9,11-14H,10H2,1H3,(H,24,25);2-11H,1H3,(H2,25,28)(H,27,29)
InChIKeyRHZIZIGSDBPXFH-UHFFFAOYSA-N
MW1976.54 g/mol
LogP29.38
Rot. Bonds17

About 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

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 (PubChem CID 160631579) has the molecular formula C113H88ClF9N14O6S and a molecular weight of 1976.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID160631579
Molecular FormulaC113H88ClF9N14O6S
Molecular Weight1976.54 g/mol
Exact Mass1974.63
IUPAC Name1-(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
SMILESCc1ccc(NC(=O)Cc2ccsc2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)Nc2ccc(C)c(-c3ccc4ccncc4c3)c2)cc1Cl.Cc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cncc(C(N)=O)c1
InChIInChI=1S/C24H20ClN3O.C24H18F3N3O.C22H16F3N3O.C22H18N2OS.C21H16F3N3O2/c1-15-3-7-20(27-24(29)28-21-8-4-16(2)23(25)13-21)12-22(15)18-6-5-17-9-10-26-14-19(17)11-18;1-15-6-9-19(13-20(15)17-8-7-16-10-11-28-14-18(16)12-17)29-23(31)30-22-5-3-2-4-21(22)24(25,26)27;1-13-5-8-18(11-19(13)14-6-7-16-12-26-28-20(16)10-14)27-21(29)15-3-2-4-17(9-15)22(23,24)25;1-15-2-5-20(24-22(25)10-16-7-9-26-14-16)12-21(15)18-4-3-17-6-8-23-13-19(17)11-18;1-12-5-6-17(9-18(12)14-7-15(19(25)28)11-26-10-14)27-20(29)13-3-2-4-16(8-13)21(22,23)24/h3-14H,1-2H3,(H2,27,28,29);2-14H,1H3,(H2,29,30,31);2-12H,1H3,(H,26,28)(H,27,29);2-9,11-14H,10H2,1H3,(H,24,25);2-11H,1H3,(H2,25,28)(H,27,29)
InChIKeyRHZIZIGSDBPXFH-UHFFFAOYSA-N
XLogP29.38
TPSA292.89 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001976.54
LogP ≤ 529.38
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

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
9-(1H-isoindol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;4-methylidene-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridin-2-one;9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 160099513
CID 158066391
CID 158066391

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(NC(=O)Cc2ccsc2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)Nc2ccc(C)c(-c3ccc4ccncc4c3)c2)cc1Cl.Cc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cncc(C(N)=O)c1.
What is the InChIKey of 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?
The InChIKey is RHZIZIGSDBPXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O.C24H18F3N3O.C22H16F3N3O.C22H18N2OS.C21H16F3N3O2/c1-15-3-7-20(27-24(29)28-21-8-4-16(2)23(25)13-21)12-22(15)18-6-5-17-9-10-26-14-19(17)11-18;1-15-6-9-19(13-20(15)17-8-7-16-10-11-28-14-18(16)12-17)29-23(31)30-22-5-3-2-4-21(22)24(25,26)27;1-13-5-8-18(11-19(13)14-6-7-16-12-26-28-20(16)10-14)27-21(29)15-3-2-4-17(9-15)22(23,24)25;1-15-2-5-20(24-22(25)10-16-7-9-26-14-16)12-21(15)18-4-3-17-6-8-23-13-19(17)11-18;1-12-5-6-17(9-18(12)14-7-15(19(25)28)11-26-10-14)27-20(29)13-3-2-4-16(8-13)21(22,23)24/h3-14H,1-2H3,(H2,27,28,29);2-14H,1H3,(H2,29,30,31);2-12H,1H3,(H,26,28)(H,27,29);2-9,11-14H,10H2,1H3,(H,24,25);2-11H,1H3,(H2,25,28)(H,27,29).
What are the key properties of 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?
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 has a molecular weight of 1976.54 g/mol, XLogP of 29.38, 17 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160631579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).