3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide

C15H14ClNO2 — CID 115610944

IUPAC3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2O)cc1Cl
InChIInChI=1S/C15H14ClNO2/c1-10-6-7-11(8-13(10)16)15(19)17-9-12-4-2-3-5-14(12)18/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyHUBNNHQXNCPUFO-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.28
Rot. Bonds3

About 3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide

3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide (PubChem CID 115610944) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide
PubChem CID115610944
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2O)cc1Cl
InChIInChI=1S/C15H14ClNO2/c1-10-6-7-11(8-13(10)16)15(19)17-9-12-4-2-3-5-14(12)18/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyHUBNNHQXNCPUFO-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115732894
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
3-chloro-4-methyl-N-phenacylbenzamide
CID 64991400
4-bromo-N-[(2-chlorophenyl)methyl]-3-hydroxybenzamide
CID 103830389
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
CID 60739135
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 60615922
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
3-(benzamidomethyl)-4-methylbenzoic acid
CID 178053095
N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide
CID 115598856

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide?
The IUPAC name of 3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide (CID 115610944) is 3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccccc2O)cc1Cl.
What is the InChIKey of 3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide?
The InChIKey is HUBNNHQXNCPUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10-6-7-11(8-13(10)16)15(19)17-9-12-4-2-3-5-14(12)18/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of 3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide?
3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide has a molecular weight of 275.74 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 115610944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).