N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide

C15H12ClF3N2O — CID 143609640

IUPACN-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide
SMILESCNc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C15H12ClF3N2O/c1-20-13-8-11(5-6-12(13)16)21-14(22)9-3-2-4-10(7-9)15(17,18)19/h2-8,20H,1H3,(H,21,22)
InChIKeyVRNIKBHVNJJDPK-UHFFFAOYSA-N
MW328.72 g/mol
LogP4.65
Rot. Bonds3

About N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide

N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 143609640) has the molecular formula C15H12ClF3N2O and a molecular weight of 328.72 g/mol. Its IUPAC name is N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID143609640
Molecular FormulaC15H12ClF3N2O
Molecular Weight328.72 g/mol
Exact Mass328.06
IUPAC NameN-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide
SMILESCNc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C15H12ClF3N2O/c1-20-13-8-11(5-6-12(13)16)21-14(22)9-3-2-4-10(7-9)15(17,18)19/h2-8,20H,1H3,(H,21,22)
InChIKeyVRNIKBHVNJJDPK-UHFFFAOYSA-N
XLogP4.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.72
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62909273
2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68846956
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide
CID 2341223
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 26593108
N-[4-chloro-3-[2-(methylamino)quinazolin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 58829369
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1302692
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
CID 104779331
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide (CID 143609640) is N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide is CNc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is VRNIKBHVNJJDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O/c1-20-13-8-11(5-6-12(13)16)21-14(22)9-3-2-4-10(7-9)15(17,18)19/h2-8,20H,1H3,(H,21,22).
What are the key properties of N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 328.72 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 143609640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).