N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide

C15H14ClNO2 — CID 113270960

IUPACN-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(CCl)c2)c1O
InChIInChI=1S/C15H14ClNO2/c1-10-4-2-7-13(14(10)18)15(19)17-12-6-3-5-11(8-12)9-16/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyWNVFPHCOJLGHAT-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.69
Rot. Bonds3

About N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide

N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide (PubChem CID 113270960) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide
PubChem CID113270960
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC NameN-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(CCl)c2)c1O
InChIInChI=1S/C15H14ClNO2/c1-10-4-2-7-13(14(10)18)15(19)17-12-6-3-5-11(8-12)9-16/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyWNVFPHCOJLGHAT-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(chloromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 114293190
N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide
CID 80718870
4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide
CID 113397345
2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 103867338
N-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide
CID 114293188
N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 113270900
2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 80718071
N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide
CID 86880325
N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 113270952
N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide
CID 107233515
2-bromo-N-[3-(bromomethyl)phenyl]-3-methylbenzamide
CID 114024071
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide
CID 61223601

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide (CID 113270960) is N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc(CCl)c2)c1O.
What is the InChIKey of N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is WNVFPHCOJLGHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10-4-2-7-13(14(10)18)15(19)17-12-6-3-5-11(8-12)9-16/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide?
N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 275.74 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 113270960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).