4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide

C14H11ClF2N2O2 — CID 79881862

IUPAC4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(Cl)c(NCc2cc(F)c(O)c(F)c2)c1
InChIInChI=1S/C14H11ClF2N2O2/c15-9-2-1-8(14(18)21)5-12(9)19-6-7-3-10(16)13(20)11(17)4-7/h1-5,19-20H,6H2,(H2,18,21)
InChIKeyLDHMCDHIBUPAGV-UHFFFAOYSA-N
MW312.70 g/mol
LogP3.03
Rot. Bonds4

About 4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide

4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide (PubChem CID 79881862) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is 4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide
PubChem CID79881862
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC Name4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(Cl)c(NCc2cc(F)c(O)c(F)c2)c1
InChIInChI=1S/C14H11ClF2N2O2/c15-9-2-1-8(14(18)21)5-12(9)19-6-7-3-10(16)13(20)11(17)4-7/h1-5,19-20H,6H2,(H2,18,21)
InChIKeyLDHMCDHIBUPAGV-UHFFFAOYSA-N
XLogP3.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951120
4-[(5-bromo-2-chloroanilino)methyl]-2,6-difluorophenol
CID 79891306
4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide
CID 106816294
4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide
CID 43701304
3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide
CID 114452430
4-[(2-chloroanilino)methyl]-2,6-difluorophenol
CID 79886747
4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66398095
4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide
CID 43783759
3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide
CID 105401162
4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821854
methyl 4-chloro-3-[(3-fluoro-4-hydroxyphenyl)methylamino]benzoate
CID 107685484
4-chloro-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43679399

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide?
The IUPAC name of 4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide (CID 79881862) is 4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide.
What is the SMILES notation for 4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide?
The canonical SMILES for 4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide is NC(=O)c1ccc(Cl)c(NCc2cc(F)c(O)c(F)c2)c1.
What is the InChIKey of 4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide?
The InChIKey is LDHMCDHIBUPAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c15-9-2-1-8(14(18)21)5-12(9)19-6-7-3-10(16)13(20)11(17)4-7/h1-5,19-20H,6H2,(H2,18,21).
What are the key properties of 4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide?
4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide has a molecular weight of 312.70 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide is sourced from PubChem (CID 79881862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).