N-(2-chlorophenyl)-N-[(2-hydroxyphenyl)methyl]-2-phenoxyacetamide

C21H18ClNO3 — CID 2320337

IUPACN-(2-chlorophenyl)-N-[(2-hydroxyphenyl)methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N(Cc1ccccc1O)c1ccccc1Cl
InChIInChI=1S/C21H18ClNO3/c22-18-11-5-6-12-19(18)23(14-16-8-4-7-13-20(16)24)21(25)15-26-17-9-2-1-3-10-17/h1-13,24H,14-15H2
InChIKeyLPZGBRYJXJPIDI-UHFFFAOYSA-N
MW367.83 g/mol
LogP4.66
Rot. Bonds6

About N-(2-chlorophenyl)-N-[(2-hydroxyphenyl)methyl]-2-phenoxyacetamide

N-(2-chlorophenyl)-N-[(2-hydroxyphenyl)methyl]-2-phenoxyacetamide (PubChem CID 2320337) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-[(2-hydroxyphenyl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-[(2-hydroxyphenyl)methyl]-2-phenoxyacetamide
PubChem CID2320337
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC NameN-(2-chlorophenyl)-N-[(2-hydroxyphenyl)methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N(Cc1ccccc1O)c1ccccc1Cl
InChIInChI=1S/C21H18ClNO3/c22-18-11-5-6-12-19(18)23(14-16-8-4-7-13-20(16)24)21(25)15-26-17-9-2-1-3-10-17/h1-13,24H,14-15H2
InChIKeyLPZGBRYJXJPIDI-UHFFFAOYSA-N
XLogP4.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[(2-chlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 132708573
2-[(2-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide
CID 132705911
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid
CID 2310232
N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyacetamide
CID 60520005
2-[2-[benzyl-[(2-hydroxyphenyl)methyl]amino]-2-oxoethoxy]-3-chlorobenzoic acid
CID 110076790
(2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 100735263
2-[[2-[(2-hydroxyphenyl)methyl-(phenoxymethyl)amino]ethyl-(phenoxymethyl)amino]methyl]phenol
CID 67015156
2-[(2-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247502
N-[(2-hydroxyphenyl)methyl]-N-(2-methoxyphenyl)-2-(1-phenylethylideneamino)oxyacetamide
CID 4863454
N-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide
CID 112790388
N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 133213172
N'-[2-(4-chlorophenoxy)acetyl]-2-[(2-chlorophenyl)methyl-methylamino]acetohydrazide
CID 8709687

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-[(2-hydroxyphenyl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-(2-chlorophenyl)-N-[(2-hydroxyphenyl)methyl]-2-phenoxyacetamide (CID 2320337) is N-(2-chlorophenyl)-N-[(2-hydroxyphenyl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-[(2-hydroxyphenyl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-(2-chlorophenyl)-N-[(2-hydroxyphenyl)methyl]-2-phenoxyacetamide is O=C(COc1ccccc1)N(Cc1ccccc1O)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N-[(2-hydroxyphenyl)methyl]-2-phenoxyacetamide?
The InChIKey is LPZGBRYJXJPIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3/c22-18-11-5-6-12-19(18)23(14-16-8-4-7-13-20(16)24)21(25)15-26-17-9-2-1-3-10-17/h1-13,24H,14-15H2.
What are the key properties of N-(2-chlorophenyl)-N-[(2-hydroxyphenyl)methyl]-2-phenoxyacetamide?
N-(2-chlorophenyl)-N-[(2-hydroxyphenyl)methyl]-2-phenoxyacetamide has a molecular weight of 367.83 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-[(2-hydroxyphenyl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 2320337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).