2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide

C15H14ClNO2 — CID 82110850

IUPAC2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide
SMILESCN(C(=O)C(Cl)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C15H14ClNO2/c1-17(12-7-9-13(18)10-8-12)15(19)14(16)11-5-3-2-4-6-11/h2-10,14,18H,1H3
InChIKeyOROBJZJWUZQSPY-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.34
Rot. Bonds3

About 2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide

2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide (PubChem CID 82110850) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide
PubChem CID82110850
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide
SMILESCN(C(=O)C(Cl)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C15H14ClNO2/c1-17(12-7-9-13(18)10-8-12)15(19)14(16)11-5-3-2-4-6-11/h2-10,14,18H,1H3
InChIKeyOROBJZJWUZQSPY-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 11063778
3-amino-N-(4-hydroxyphenyl)-N,2-dimethyl-3-phenylpropanamide
CID 107734254
2-amino-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 23221170
2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid
CID 20993991
2-chloro-N-ethyl-N,2-diphenylacetamide
CID 43245479
2-chloro-N-methyl-N-(2-methylsulfanylethyl)-2-phenylacetamide
CID 112658045
3-hydroxy-N-(4-hydroxyphenyl)-N,2-dimethylpropanamide
CID 134339239
(2R)-N-methyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821073
[(1R,2R)-2-chloro-3-(N-methylanilino)-3-oxo-1-phenylpropyl] formate
CID 102226257
2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide
CID 107734416
N-(4-acetamidophenyl)-N-methyl-2,2-diphenylacetamide
CID 113094960
(E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 84552100

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide?
The IUPAC name of 2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide (CID 82110850) is 2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide is CN(C(=O)C(Cl)c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide?
The InChIKey is OROBJZJWUZQSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-17(12-7-9-13(18)10-8-12)15(19)14(16)11-5-3-2-4-6-11/h2-10,14,18H,1H3.
What are the key properties of 2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide?
2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide has a molecular weight of 275.74 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide is sourced from PubChem (CID 82110850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).