5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide

C14H11ClF2N2O — CID 43673715

IUPAC5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide
SMILESNC(=O)c1cc(NCc2ccc(Cl)cc2)c(F)cc1F
InChIInChI=1S/C14H11ClF2N2O/c15-9-3-1-8(2-4-9)7-19-13-5-10(14(18)20)11(16)6-12(13)17/h1-6,19H,7H2,(H2,18,20)
InChIKeyQPVBKYLFZKSLIY-UHFFFAOYSA-N
MW296.70 g/mol
LogP3.33
Rot. Bonds4

About 5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide

5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide (PubChem CID 43673715) has the molecular formula C14H11ClF2N2O and a molecular weight of 296.70 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide
PubChem CID43673715
Molecular FormulaC14H11ClF2N2O
Molecular Weight296.70 g/mol
Exact Mass296.05
IUPAC Name5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide
SMILESNC(=O)c1cc(NCc2ccc(Cl)cc2)c(F)cc1F
InChIInChI=1S/C14H11ClF2N2O/c15-9-3-1-8(2-4-9)7-19-13-5-10(14(18)20)11(16)6-12(13)17/h1-6,19H,7H2,(H2,18,20)
InChIKeyQPVBKYLFZKSLIY-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide
CID 43673750
5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide
CID 43779137
4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712
5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide
CID 105401144
2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821841
5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide
CID 114487296
5-bromo-N-[(4-chlorophenyl)methyl]-2,4-difluoroaniline
CID 102852740
4-[(5-carbamoyl-2-fluoroanilino)methyl]benzoic acid
CID 65348107
5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide
CID 66387532
5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide
CID 62964464
2,4-difluoro-5-[(3-fluoro-4-methylphenyl)methylamino]benzoic acid
CID 63646043
4-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 43438420

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide?
The IUPAC name of 5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide (CID 43673715) is 5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide?
The canonical SMILES for 5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide is NC(=O)c1cc(NCc2ccc(Cl)cc2)c(F)cc1F.
What is the InChIKey of 5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide?
The InChIKey is QPVBKYLFZKSLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O/c15-9-3-1-8(2-4-9)7-19-13-5-10(14(18)20)11(16)6-12(13)17/h1-6,19H,7H2,(H2,18,20).
What are the key properties of 5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide?
5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide has a molecular weight of 296.70 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide is sourced from PubChem (CID 43673715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).