2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide

C18H18ClNO3 — CID 17399319

IUPAC2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide
SMILESCC(=O)c1ccc(OC(C)C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClNO3/c1-12(21)14-7-9-16(10-8-14)23-13(2)18(22)20-11-15-5-3-4-6-17(15)19/h3-10,13H,11H2,1-2H3,(H,20,22)
InChIKeyZYJMNQWGLTWWHM-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.63
Rot. Bonds6

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

2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 17399319) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID17399319
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide
SMILESCC(=O)c1ccc(OC(C)C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClNO3/c1-12(21)14-7-9-16(10-8-14)23-13(2)18(22)20-11-15-5-3-4-6-17(15)19/h3-10,13H,11H2,1-2H3,(H,20,22)
InChIKeyZYJMNQWGLTWWHM-UHFFFAOYSA-N
XLogP3.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(4-phenylphenoxy)propanamide
CID 17194172
N-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide
CID 24511812
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 6915501
(2R)-N-[(2-chlorophenyl)methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100656988
(2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 31976291
(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8851774
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 99132986
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 8735586
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-iodobenzoate
CID 55417735
N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 21173910

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide (CID 17399319) is 2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide is CC(=O)c1ccc(OC(C)C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is ZYJMNQWGLTWWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-12(21)14-7-9-16(10-8-14)23-13(2)18(22)20-11-15-5-3-4-6-17(15)19/h3-10,13H,11H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide?
2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide has a molecular weight of 331.80 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 17399319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).