2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide

C15H14ClNO3 — CID 115598858

IUPAC2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1ccccc1O
InChIInChI=1S/C15H14ClNO3/c16-12-5-7-13(8-6-12)20-10-15(19)17-9-11-3-1-2-4-14(11)18/h1-8,18H,9-10H2,(H,17,19)
InChIKeyVDPALAFCRDCHQA-UHFFFAOYSA-N
MW291.73 g/mol
LogP2.74
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide (PubChem CID 115598858) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide
PubChem CID115598858
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1ccccc1O
InChIInChI=1S/C15H14ClNO3/c16-12-5-7-13(8-6-12)20-10-15(19)17-9-11-3-1-2-4-14(11)18/h1-8,18H,9-10H2,(H,17,19)
InChIKeyVDPALAFCRDCHQA-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 7639773
N'-[2-(4-chlorophenoxy)acetyl]-2-(2-methylphenyl)acetohydrazide
CID 26163587
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 110285271
2-(3,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 9196943
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 55665042
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
CID 170046008
2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63311483
N-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide
CID 31676938
4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 17171925
2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
CID 55761433

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide (CID 115598858) is 2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide is O=C(COc1ccc(Cl)cc1)NCc1ccccc1O.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide?
The InChIKey is VDPALAFCRDCHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-12-5-7-13(8-6-12)20-10-15(19)17-9-11-3-1-2-4-14(11)18/h1-8,18H,9-10H2,(H,17,19).
What are the key properties of 2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide?
2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide has a molecular weight of 291.73 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 115598858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).