4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide

C14H12ClNO3 — CID 60715835

IUPAC4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CO)c1)c1ccc(Cl)cc1O
InChIInChI=1S/C14H12ClNO3/c15-10-4-5-12(13(18)7-10)14(19)16-11-3-1-2-9(6-11)8-17/h1-7,17-18H,8H2,(H,16,19)
InChIKeyNJLMKZOZDRFSSV-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.79
Rot. Bonds3

About 4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide

4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide (PubChem CID 60715835) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide
PubChem CID60715835
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CO)c1)c1ccc(Cl)cc1O
InChIInChI=1S/C14H12ClNO3/c15-10-4-5-12(13(18)7-10)14(19)16-11-3-1-2-9(6-11)8-17/h1-7,17-18H,8H2,(H,16,19)
InChIKeyNJLMKZOZDRFSSV-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629922
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894
2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide
CID 103605214
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide
CID 60630083
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 51891437
N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide
CID 114307198
N-(3-chlorophenyl)-2-hydroxy-4-methoxybenzamide
CID 5274047
N-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide
CID 114293188
2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 114034177
5-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 9092313
5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide
CID 110910882

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide (CID 60715835) is 4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide is O=C(Nc1cccc(CO)c1)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide?
The InChIKey is NJLMKZOZDRFSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c15-10-4-5-12(13(18)7-10)14(19)16-11-3-1-2-9(6-11)8-17/h1-7,17-18H,8H2,(H,16,19).
What are the key properties of 4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide?
4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide has a molecular weight of 277.71 g/mol, XLogP of 2.79, 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-[3-(hydroxymethyl)phenyl]benzamide is sourced from PubChem (CID 60715835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).