4-amino-5-chloro-2-methoxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide

C19H16ClF3N4O2 — CID 166633618

IUPAC4-amino-5-chloro-2-methoxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1cc(-n2cnc(C)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H16ClF3N4O2/c1-10-8-27(9-25-10)13-4-11(19(21,22)23)3-12(5-13)26-18(28)14-6-15(20)16(24)7-17(14)29-2/h3-9H,24H2,1-2H3,(H,26,28)
InChIKeySCCHLRHBQIANEW-UHFFFAOYSA-N
MW424.81 g/mol
LogP4.70
Rot. Bonds4

About 4-amino-5-chloro-2-methoxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide

4-amino-5-chloro-2-methoxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 166633618) has the molecular formula C19H16ClF3N4O2 and a molecular weight of 424.81 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
PubChem CID166633618
Molecular FormulaC19H16ClF3N4O2
Molecular Weight424.81 g/mol
Exact Mass424.09
IUPAC Name4-amino-5-chloro-2-methoxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1cc(-n2cnc(C)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H16ClF3N4O2/c1-10-8-27(9-25-10)13-4-11(19(21,22)23)3-12(5-13)26-18(28)14-6-15(20)16(24)7-17(14)29-2/h3-9H,24H2,1-2H3,(H,26,28)
InChIKeySCCHLRHBQIANEW-UHFFFAOYSA-N
XLogP4.70
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.81
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 141158553
3,4-dimethyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;ethane
CID 162361882
N-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 122698167
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 167820655
N-tert-butyl-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline
CID 166898562
4-butyl-3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 165142665
4-(difluoromethyl)-3-formyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 167436045
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxoacetamide
CID 155671320
N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 177380087
4-[[4-(4-methylimidazol-1-yl)pyrimidin-2-yl]amino]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 68852194
6-[tert-butyl(diphenyl)silyl]oxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 68591062
3-amino-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;2-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 162622455

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide (CID 166633618) is 4-amino-5-chloro-2-methoxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide is COc1cc(N)c(Cl)cc1C(=O)Nc1cc(-n2cnc(C)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is SCCHLRHBQIANEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O2/c1-10-8-27(9-25-10)13-4-11(19(21,22)23)3-12(5-13)26-18(28)14-6-15(20)16(24)7-17(14)29-2/h3-9H,24H2,1-2H3,(H,26,28).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
4-amino-5-chloro-2-methoxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 424.81 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 166633618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).