N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide

C15H13ClF2N2O — CID 63183628

IUPACN-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NCc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C15H13ClF2N2O/c1-19-14-12(17)6-10(7-13(14)18)15(21)20-8-9-2-4-11(16)5-3-9/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyVYYYSQBHRWLESC-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.59
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide

N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide (PubChem CID 63183628) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide
PubChem CID63183628
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC NameN-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NCc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C15H13ClF2N2O/c1-19-14-12(17)6-10(7-13(14)18)15(21)20-8-9-2-4-11(16)5-3-9/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyVYYYSQBHRWLESC-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115731912
N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide
CID 63188835
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 63184958
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231671
1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054581
3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
CID 63185327

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide (CID 63183628) is N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide is CNc1c(F)cc(C(=O)NCc2ccc(Cl)cc2)cc1F.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide?
The InChIKey is VYYYSQBHRWLESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c1-19-14-12(17)6-10(7-13(14)18)15(21)20-8-9-2-4-11(16)5-3-9/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide?
N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide has a molecular weight of 310.73 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide is sourced from PubChem (CID 63183628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).