2-(4-acetylphenoxy)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide

C24H19ClN2O3 — CID 46479747

IUPAC2-(4-acetylphenoxy)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2ccc(C(C#N)c3ccccc3)c(Cl)c2)cc1
InChIInChI=1S/C24H19ClN2O3/c1-16(28)17-7-10-20(11-8-17)30-15-24(29)27-19-9-12-21(23(25)13-19)22(14-26)18-5-3-2-4-6-18/h2-13,22H,15H2,1H3,(H,27,29)
InChIKeyWBKJHTRRVLQSAT-UHFFFAOYSA-N
MW418.88 g/mol
LogP5.22
Rot. Bonds7

About 2-(4-acetylphenoxy)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide

2-(4-acetylphenoxy)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide (PubChem CID 46479747) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide
PubChem CID46479747
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Name2-(4-acetylphenoxy)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2ccc(C(C#N)c3ccccc3)c(Cl)c2)cc1
InChIInChI=1S/C24H19ClN2O3/c1-16(28)17-7-10-20(11-8-17)30-15-24(29)27-19-9-12-21(23(25)13-19)22(14-26)18-5-3-2-4-6-18/h2-13,22H,15H2,1H3,(H,27,29)
InChIKeyWBKJHTRRVLQSAT-UHFFFAOYSA-N
XLogP5.22
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide
CID 55727295
2-(4-acetylphenoxy)-N-(3-chlorophenyl)acetamide
CID 2709970
2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 30873439
1-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]-3-[(2S)-2-hydroxypropyl]urea
CID 124623536
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
N-(3,4-dichlorophenyl)-2-(4-phenoxyphenoxy)acetamide
CID 2319916
N-[3-chloro-4-[(S)-cyano(phenyl)methyl]phenyl]-2,6-difluorobenzamide
CID 40649204
N-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane
CID 160894365
4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 1191645
N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 26907063
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
2-(4-acetylphenoxy)-N-dibenzofuran-2-ylacetamide
CID 2635783

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide (CID 46479747) is 2-(4-acetylphenoxy)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide is CC(=O)c1ccc(OCC(=O)Nc2ccc(C(C#N)c3ccccc3)c(Cl)c2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide?
The InChIKey is WBKJHTRRVLQSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-16(28)17-7-10-20(11-8-17)30-15-24(29)27-19-9-12-21(23(25)13-19)22(14-26)18-5-3-2-4-6-18/h2-13,22H,15H2,1H3,(H,27,29).
What are the key properties of 2-(4-acetylphenoxy)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide?
2-(4-acetylphenoxy)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide has a molecular weight of 418.88 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide is sourced from PubChem (CID 46479747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).