4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide

C19H20ClNO3 — CID 2666396

IUPAC4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C19H20ClNO3/c1-13-17(20)5-3-6-18(13)21-19(23)7-4-12-24-16-10-8-15(9-11-16)14(2)22/h3,5-6,8-11H,4,7,12H2,1-2H3,(H,21,23)
InChIKeyJMZNYCNOXRPLTP-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.65
Rot. Bonds7

About 4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide

4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide (PubChem CID 2666396) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide
PubChem CID2666396
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C19H20ClNO3/c1-13-17(20)5-3-6-18(13)21-19(23)7-4-12-24-16-10-8-15(9-11-16)14(2)22/h3,5-6,8-11H,4,7,12H2,1-2H3,(H,21,23)
InChIKeyJMZNYCNOXRPLTP-UHFFFAOYSA-N
XLogP4.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 18292221
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N-[(3-chloro-2-methylphenyl)carbamothioyl]-4-(4-chlorophenoxy)butanamide
CID 19188878
N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide
CID 19190988
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4948709
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
N-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 759065
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840675
4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide
CID 7941418
N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46534875

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide (CID 2666396) is 4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide is CC(=O)c1ccc(OCCCC(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide?
The InChIKey is JMZNYCNOXRPLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-13-17(20)5-3-6-18(13)21-19(23)7-4-12-24-16-10-8-15(9-11-16)14(2)22/h3,5-6,8-11H,4,7,12H2,1-2H3,(H,21,23).
What are the key properties of 4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide?
4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide has a molecular weight of 345.83 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide is sourced from PubChem (CID 2666396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).