2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide

C16H16ClNO2 — CID 86145134

IUPAC2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(Cc2ccccc2O)C(=O)CCl)cc1
InChIInChI=1S/C16H16ClNO2/c1-12-6-8-14(9-7-12)18(16(20)10-17)11-13-4-2-3-5-15(13)19/h2-9,19H,10-11H2,1H3
InChIKeyGCINEJOYIBEVOC-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.47
Rot. Bonds4

About 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide

2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide (PubChem CID 86145134) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide
PubChem CID86145134
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(Cc2ccccc2O)C(=O)CCl)cc1
InChIInChI=1S/C16H16ClNO2/c1-12-6-8-14(9-7-12)18(16(20)10-17)11-13-4-2-3-5-15(13)19/h2-9,19H,10-11H2,1H3
InChIKeyGCINEJOYIBEVOC-UHFFFAOYSA-N
XLogP3.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide
CID 835182
2-chloro-N-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 39443965
2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 60809822
2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide
CID 39443934
2-chloro-N-(hydroxymethyl)-N-phenylacetamide
CID 19762880
2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 39398782
N-(4-methylphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 139238463
N-(2-chloroethyl)-N-(4-methylphenyl)carbamate
CID 57353360
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide
CID 81312467
2-(2-hydroxyphenyl)-1-(4-methylphenyl)ethanone
CID 2303827
N,N-bis[(2-hydroxyphenyl)methyl]acetamide
CID 88774811
2-chloro-N-(4-chlorophenyl)-N-ethylacetamide
CID 15045863

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide (CID 86145134) is 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide is Cc1ccc(N(Cc2ccccc2O)C(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide?
The InChIKey is GCINEJOYIBEVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-12-6-8-14(9-7-12)18(16(20)10-17)11-13-4-2-3-5-15(13)19/h2-9,19H,10-11H2,1H3.
What are the key properties of 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide?
2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide has a molecular weight of 289.76 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 86145134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).