N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide

C23H20ClNO3 — CID 19172248

IUPACN-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C23H20ClNO3/c24-18-13-14-21(20(16-18)23(27)17-8-3-1-4-9-17)25-22(26)12-7-15-28-19-10-5-2-6-11-19/h1-6,8-11,13-14,16H,7,12,15H2,(H,25,26)
InChIKeySECXHIFRHGKFSU-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.37
Rot. Bonds8

About N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide

N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide (PubChem CID 19172248) has the molecular formula C23H20ClNO3 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide
PubChem CID19172248
Molecular FormulaC23H20ClNO3
Molecular Weight393.87 g/mol
Exact Mass393.11
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C23H20ClNO3/c24-18-13-14-21(20(16-18)23(27)17-8-3-1-4-9-17)25-22(26)12-7-15-28-19-10-5-2-6-11-19/h1-6,8-11,13-14,16H,7,12,15H2,(H,25,26)
InChIKeySECXHIFRHGKFSU-UHFFFAOYSA-N
XLogP5.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.37
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

N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide
CID 19191287
N-(2-benzoyl-4-chlorophenyl)-4-phenylsulfanylbutanamide
CID 41085814
N-(2-benzoyl-4-chlorophenyl)-2-(4-phenylphenoxy)acetamide
CID 19169901
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide
CID 28515757
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782592
N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
CID 82034361
N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46535270
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium
CID 5113102
2-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)acetamide
CID 4653730
[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone
CID 145356956

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide (CID 19172248) is N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide is O=C(CCCOc1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide?
The InChIKey is SECXHIFRHGKFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO3/c24-18-13-14-21(20(16-18)23(27)17-8-3-1-4-9-17)25-22(26)12-7-15-28-19-10-5-2-6-11-19/h1-6,8-11,13-14,16H,7,12,15H2,(H,25,26).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide?
N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide has a molecular weight of 393.87 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide is sourced from PubChem (CID 19172248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).