2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide

C16H16ClNO3 — CID 63311483

IUPAC2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1cccc(CO)c1
InChIInChI=1S/C16H16ClNO3/c17-14-4-6-15(7-5-14)21-11-16(20)18-9-12-2-1-3-13(8-12)10-19/h1-8,19H,9-11H2,(H,18,20)
InChIKeyLFPGYZAXULWAIB-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.53
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide

2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide (PubChem CID 63311483) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
PubChem CID63311483
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1cccc(CO)c1
InChIInChI=1S/C16H16ClNO3/c17-14-4-6-15(7-5-14)21-11-16(20)18-9-12-2-1-3-13(8-12)10-19/h1-8,19H,9-11H2,(H,18,20)
InChIKeyLFPGYZAXULWAIB-UHFFFAOYSA-N
XLogP2.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 17071181
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
N-[(3-chlorophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 2710123
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 110285271
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
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]carbamothioyl]acetamide
CID 1014420
4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 17171925
2-(2,4-dichlorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63311270
N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide
CID 17071179
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107216595

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide (CID 63311483) is 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide is O=C(COc1ccc(Cl)cc1)NCc1cccc(CO)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide?
The InChIKey is LFPGYZAXULWAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c17-14-4-6-15(7-5-14)21-11-16(20)18-9-12-2-1-3-13(8-12)10-19/h1-8,19H,9-11H2,(H,18,20).
What are the key properties of 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide has a molecular weight of 305.76 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 63311483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).