N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

C21H16ClF3N4O2 — CID 11518018

IUPACN-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(N)c(Cl)c1
InChIInChI=1S/C21H16ClF3N4O2/c1-11-5-6-14(28-19(30)12-3-2-4-13(7-12)21(23,24)25)8-16(11)20(31)29-15-9-17(22)18(26)27-10-15/h2-10H,1H3,(H2,26,27)(H,28,30)(H,29,31)
InChIKeyBYCBVTAUYYXCCF-UHFFFAOYSA-N
MW448.83 g/mol
LogP5.15
Rot. Bonds4

About N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 11518018) has the molecular formula C21H16ClF3N4O2 and a molecular weight of 448.83 g/mol. Its IUPAC name is N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID11518018
Molecular FormulaC21H16ClF3N4O2
Molecular Weight448.83 g/mol
Exact Mass448.09
IUPAC NameN-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(N)c(Cl)c1
InChIInChI=1S/C21H16ClF3N4O2/c1-11-5-6-14(28-19(30)12-3-2-4-13(7-12)21(23,24)25)8-16(11)20(31)29-15-9-17(22)18(26)27-10-15/h2-10H,1H3,(H2,26,27)(H,28,30)(H,29,31)
InChIKeyBYCBVTAUYYXCCF-UHFFFAOYSA-N
XLogP5.15
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.83
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (CID 11518018) is N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(N)c(Cl)c1.
What is the InChIKey of N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is BYCBVTAUYYXCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N4O2/c1-11-5-6-14(28-19(30)12-3-2-4-13(7-12)21(23,24)25)8-16(11)20(31)29-15-9-17(22)18(26)27-10-15/h2-10H,1H3,(H2,26,27)(H,28,30)(H,29,31).
What are the key properties of N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 448.83 g/mol, XLogP of 5.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 11518018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).