2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide

C17H16ClNO3 — CID 2616931

IUPAC2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClNO3/c1-12(20)14-3-2-4-16(9-14)22-11-17(21)19-10-13-5-7-15(18)8-6-13/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyVHUKYGGLESEZKR-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.24
Rot. Bonds6

About 2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide

2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 2616931) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID2616931
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClNO3/c1-12(20)14-3-2-4-16(9-14)22-11-17(21)19-10-13-5-7-15(18)8-6-13/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyVHUKYGGLESEZKR-UHFFFAOYSA-N
XLogP3.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]-N-ethylbenzamide
CID 86991598
N-[3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]phenyl]benzamide
CID 78883909
2-(3-acetylphenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 30307790
[3-[[4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928317
methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate
CID 7688183
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 2594688
2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 40628702
diethyl 5-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]benzene-1,3-dicarboxylate
CID 7917434
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
CID 170046008
2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide
CID 78855114

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide (CID 2616931) is 2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide is CC(=O)c1cccc(OCC(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is VHUKYGGLESEZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-12(20)14-3-2-4-16(9-14)22-11-17(21)19-10-13-5-7-15(18)8-6-13/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of 2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide?
2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 317.77 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 2616931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).