2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide

C15H13ClF2N2O — CID 115523744

IUPAC2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide
SMILESNC(=O)c1ccc(NCc2ccc(C(F)F)cc2)cc1Cl
InChIInChI=1S/C15H13ClF2N2O/c16-13-7-11(5-6-12(13)15(19)21)20-8-9-1-3-10(4-2-9)14(17)18/h1-7,14,20H,8H2,(H2,19,21)
InChIKeyNAJWSPOXBDHQMO-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.99
Rot. Bonds5

About 2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide

2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide (PubChem CID 115523744) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is 2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide
PubChem CID115523744
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC Name2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide
SMILESNC(=O)c1ccc(NCc2ccc(C(F)F)cc2)cc1Cl
InChIInChI=1S/C15H13ClF2N2O/c16-13-7-11(5-6-12(13)15(19)21)20-8-9-1-3-10(4-2-9)14(17)18/h1-7,14,20H,8H2,(H2,19,21)
InChIKeyNAJWSPOXBDHQMO-UHFFFAOYSA-N
XLogP3.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide
CID 43736377
2-chloro-4-[(4-chlorophenyl)methylamino]benzenecarbothioamide
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4-(1,3-benzodioxol-5-ylmethylamino)-2-chlorobenzamide
CID 43736492
2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide
CID 43736451
2-chloro-4-(2-methylpropylamino)benzamide
CID 43736438
4-[(3,4-dichloroanilino)methyl]benzamide
CID 28577960
2-chloro-5-[[3-(difluoromethyl)phenyl]methylamino]benzoic acid
CID 115526263
4-(4-carbamoyl-3-chloroanilino)butanoic acid
CID 62945162
N-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline
CID 115523440
2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951437
2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide
CID 60874084
4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol
CID 115524031

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide?
The IUPAC name of 2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide (CID 115523744) is 2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide.
What is the SMILES notation for 2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide?
The canonical SMILES for 2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide is NC(=O)c1ccc(NCc2ccc(C(F)F)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide?
The InChIKey is NAJWSPOXBDHQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c16-13-7-11(5-6-12(13)15(19)21)20-8-9-1-3-10(4-2-9)14(17)18/h1-7,14,20H,8H2,(H2,19,21).
What are the key properties of 2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide?
2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide has a molecular weight of 310.73 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide is sourced from PubChem (CID 115523744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).