4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide

C14H12ClNO3 — CID 115598912

IUPAC4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H12ClNO3/c15-10-5-6-11(13(18)7-10)14(19)16-8-9-3-1-2-4-12(9)17/h1-7,17-18H,8H2,(H,16,19)
InChIKeyFVIMHVUHXDABKN-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.68
Rot. Bonds3

About 4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide

4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide (PubChem CID 115598912) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
PubChem CID115598912
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H12ClNO3/c15-10-5-6-11(13(18)7-10)14(19)16-8-9-3-1-2-4-12(9)17/h1-7,17-18H,8H2,(H,16,19)
InChIKeyFVIMHVUHXDABKN-UHFFFAOYSA-N
XLogP2.68
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-hydroxy-N-[(2-methylphenyl)methyl]benzamide
CID 54941047
2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 113257915
N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide
CID 103110241
4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598731
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide
CID 79531317
N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide
CID 114307488
4-chloro-N-(2-chloropropyl)-2-hydroxybenzamide
CID 114296442
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404
3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115732894
5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024297
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
N-(2-bromoprop-2-enyl)-4-chloro-2-hydroxybenzamide
CID 115595089

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide (CID 115598912) is 4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide is O=C(NCc1ccccc1O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide?
The InChIKey is FVIMHVUHXDABKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c15-10-5-6-11(13(18)7-10)14(19)16-8-9-3-1-2-4-12(9)17/h1-7,17-18H,8H2,(H,16,19).
What are the key properties of 4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide?
4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide has a molecular weight of 277.71 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 115598912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).