3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzamide;3-amino-N-(3-methoxyphenyl)-4-methylbenzamide;3-amino-4-methyl-N-(3-methylphenyl)benzamide;3-amino-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;1-(3-amino-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-amino-N-[3-(trifluoromethyl)phenyl]benzamide

C118H119F18N17O9 — CID 162238227

IUPAC3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzamide;3-amino-N-(3-methoxyphenyl)-4-methylbenzamide;3-amino-4-methyl-N-(3-methylphenyl)benzamide;3-amino-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;1-(3-amino-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-amino-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1cccc(NC(=O)c2ccc(C)c(N)c2)c1.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1N.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1N.Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1N.Cc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1N.Cc1cccc(NC(=O)c2ccc(C)c(N)c2)c1.Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H26F3N3O.C21H25F3N4O.C16H12F6N2O.C15H13F3N2O2.C15H16N2O2.C15H16N2O.C14H11F3N2O/c1-15-3-5-17(13-20(15)26)21(29)12-16-4-6-18(19(11-16)22(23,24)25)14-28-9-7-27(2)8-10-28;1-14-3-4-16(11-19(14)25)20(29)26-18-10-15(9-17(12-18)21(22,23)24)13-28-7-5-27(2)6-8-28;1-8-2-3-9(4-13(8)23)14(25)24-12-6-10(15(17,18)19)5-11(7-12)16(20,21)22;1-9-5-6-10(7-13(9)19)14(21)20-11-3-2-4-12(8-11)22-15(16,17)18;1-10-6-7-11(8-14(10)16)15(18)17-12-4-3-5-13(9-12)19-2;1-10-4-3-5-13(8-10)17-15(18)12-7-6-11(2)14(16)9-12;15-14(16,17)10-4-2-6-12(8-10)19-13(20)9-3-1-5-11(18)7-9/h3-6,11,13H,7-10,12,14,26H2,1-2H3;3-4,9-12H,5-8,13,25H2,1-2H3,(H,26,29);2-7H,23H2,1H3,(H,24,25);2-8H,19H2,1H3,(H,20,21);3-9H,16H2,1-2H3,(H,17,18);3-9H,16H2,1-2H3,(H,17,18);1-8H,18H2,(H,19,20)
InChIKeyZWISVIOQVWDWDZ-UHFFFAOYSA-N
MW2261.32 g/mol
LogP25.48
Rot. Bonds21

About 3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzamide;3-amino-N-(3-methoxyphenyl)-4-methylbenzamide;3-amino-4-methyl-N-(3-methylphenyl)benzamide;3-amino-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;1-(3-amino-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-amino-N-[3-(trifluoromethyl)phenyl]benzamide

3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzamide;3-amino-N-(3-methoxyphenyl)-4-methylbenzamide;3-amino-4-methyl-N-(3-methylphenyl)benzamide;3-amino-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;1-(3-amino-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-amino-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 162238227) has the molecular formula C118H119F18N17O9 and a molecular weight of 2261.32 g/mol. Its IUPAC name is 3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzamide;3-amino-N-(3-methoxyphenyl)-4-methylbenzamide;3-amino-4-methyl-N-(3-methylphenyl)benzamide;3-amino-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;1-(3-amino-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-amino-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzamide;3-amino-N-(3-methoxyphenyl)-4-methylbenzamide;3-amino-4-methyl-N-(3-methylphenyl)benzamide;3-amino-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;1-(3-amino-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-amino-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID162238227
Molecular FormulaC118H119F18N17O9
Molecular Weight2261.32 g/mol
Exact Mass2259.91
IUPAC Name3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzamide;3-amino-N-(3-methoxyphenyl)-4-methylbenzamide;3-amino-4-methyl-N-(3-methylphenyl)benzamide;3-amino-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;1-(3-amino-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-amino-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1cccc(NC(=O)c2ccc(C)c(N)c2)c1.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1N.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1N.Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1N.Cc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1N.Cc1cccc(NC(=O)c2ccc(C)c(N)c2)c1.Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H26F3N3O.C21H25F3N4O.C16H12F6N2O.C15H13F3N2O2.C15H16N2O2.C15H16N2O.C14H11F3N2O/c1-15-3-5-17(13-20(15)26)21(29)12-16-4-6-18(19(11-16)22(23,24)25)14-28-9-7-27(2)8-10-28;1-14-3-4-16(11-19(14)25)20(29)26-18-10-15(9-17(12-18)21(22,23)24)13-28-7-5-27(2)6-8-28;1-8-2-3-9(4-13(8)23)14(25)24-12-6-10(15(17,18)19)5-11(7-12)16(20,21)22;1-9-5-6-10(7-13(9)19)14(21)20-11-3-2-4-12(8-11)22-15(16,17)18;1-10-6-7-11(8-14(10)16)15(18)17-12-4-3-5-13(9-12)19-2;1-10-4-3-5-13(8-10)17-15(18)12-7-6-11(2)14(16)9-12;15-14(16,17)10-4-2-6-12(8-10)19-13(20)9-3-1-5-11(18)7-9/h3-6,11,13H,7-10,12,14,26H2,1-2H3;3-4,9-12H,5-8,13,25H2,1-2H3,(H,26,29);2-7H,23H2,1H3,(H,24,25);2-8H,19H2,1H3,(H,20,21);3-9H,16H2,1-2H3,(H,17,18);3-9H,16H2,1-2H3,(H,17,18);1-8H,18H2,(H,19,20)
InChIKeyZWISVIOQVWDWDZ-UHFFFAOYSA-N
XLogP25.48
TPSA405.23 Ų
H-Bond Donors13
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002261.32
LogP ≤ 525.48
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzamide;3-amino-N-(3-methoxyphenyl)-4-methylbenzamide;3-amino-4-methyl-N-(3-methylphenyl)benzamide;3-amino-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;1-(3-amino-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-amino-N-[3-(trifluoromethyl)phenyl]benzamide with MolForge

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Related Compounds

N-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 23112208
N-[4-(7-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butyl]naphthalene-2-carboxamide
CID 44390237
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 134147438
N-[4-[(4aS)-9-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl]butyl]naphthalene-2-carboxamide
CID 11212939
N-[4-[(4aS)-7-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl]butyl]naphthalene-2-carboxamide
CID 11247757
N-[4-[(4aR)-7-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl]butyl]naphthalene-2-carboxamide
CID 11316709
N-[4-[(4aR)-9-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl]butyl]naphthalene-2-carboxamide
CID 11408135
N-[4-(9-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butyl]naphthalene-2-carboxamide
CID 44390262
2-methoxy-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide
CID 44411972
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-(1-propanoylpiperidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 134132136
N-[3-(1-benzoylpiperidin-4-yl)oxy-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 134143434
4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 90456232

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzamide;3-amino-N-(3-methoxyphenyl)-4-methylbenzamide;3-amino-4-methyl-N-(3-methylphenyl)benzamide;3-amino-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;1-(3-amino-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-amino-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzamide;3-amino-N-(3-methoxyphenyl)-4-methylbenzamide;3-amino-4-methyl-N-(3-methylphenyl)benzamide;3-amino-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;1-(3-amino-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-amino-N-[3-(trifluoromethyl)phenyl]benzamide (CID 162238227) is 3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzamide;3-amino-N-(3-methoxyphenyl)-4-methylbenzamide;3-amino-4-methyl-N-(3-methylphenyl)benzamide;3-amino-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;1-(3-amino-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-amino-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzamide;3-amino-N-(3-methoxyphenyl)-4-methylbenzamide;3-amino-4-methyl-N-(3-methylphenyl)benzamide;3-amino-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;1-(3-amino-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-amino-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzamide;3-amino-N-(3-methoxyphenyl)-4-methylbenzamide;3-amino-4-methyl-N-(3-methylphenyl)benzamide;3-amino-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;1-(3-amino-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-amino-N-[3-(trifluoromethyl)phenyl]benzamide is COc1cccc(NC(=O)c2ccc(C)c(N)c2)c1.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1N.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1N.Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1N.Cc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1N.Cc1cccc(NC(=O)c2ccc(C)c(N)c2)c1.Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzamide;3-amino-N-(3-methoxyphenyl)-4-methylbenzamide;3-amino-4-methyl-N-(3-methylphenyl)benzamide;3-amino-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;1-(3-amino-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-amino-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZWISVIOQVWDWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O.C21H25F3N4O.C16H12F6N2O.C15H13F3N2O2.C15H16N2O2.C15H16N2O.C14H11F3N2O/c1-15-3-5-17(13-20(15)26)21(29)12-16-4-6-18(19(11-16)22(23,24)25)14-28-9-7-27(2)8-10-28;1-14-3-4-16(11-19(14)25)20(29)26-18-10-15(9-17(12-18)21(22,23)24)13-28-7-5-27(2)6-8-28;1-8-2-3-9(4-13(8)23)14(25)24-12-6-10(15(17,18)19)5-11(7-12)16(20,21)22;1-9-5-6-10(7-13(9)19)14(21)20-11-3-2-4-12(8-11)22-15(16,17)18;1-10-6-7-11(8-14(10)16)15(18)17-12-4-3-5-13(9-12)19-2;1-10-4-3-5-13(8-10)17-15(18)12-7-6-11(2)14(16)9-12;15-14(16,17)10-4-2-6-12(8-10)19-13(20)9-3-1-5-11(18)7-9/h3-6,11,13H,7-10,12,14,26H2,1-2H3;3-4,9-12H,5-8,13,25H2,1-2H3,(H,26,29);2-7H,23H2,1H3,(H,24,25);2-8H,19H2,1H3,(H,20,21);3-9H,16H2,1-2H3,(H,17,18);3-9H,16H2,1-2H3,(H,17,18);1-8H,18H2,(H,19,20).
What are the key properties of 3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzamide;3-amino-N-(3-methoxyphenyl)-4-methylbenzamide;3-amino-4-methyl-N-(3-methylphenyl)benzamide;3-amino-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;1-(3-amino-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-amino-N-[3-(trifluoromethyl)phenyl]benzamide?
3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzamide;3-amino-N-(3-methoxyphenyl)-4-methylbenzamide;3-amino-4-methyl-N-(3-methylphenyl)benzamide;3-amino-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;1-(3-amino-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-amino-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 2261.32 g/mol, XLogP of 25.48, 21 rotatable bonds, 13 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzamide;3-amino-N-(3-methoxyphenyl)-4-methylbenzamide;3-amino-4-methyl-N-(3-methylphenyl)benzamide;3-amino-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;1-(3-amino-4-methylphenyl)-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-amino-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 162238227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).