N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide

C20H16ClNO2 — CID 9073279

IUPACN-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H16ClNO2/c21-17-7-9-18(10-8-17)22-20(24)12-11-19(23)16-6-5-14-3-1-2-4-15(14)13-16/h1-10,13H,11-12H2,(H,22,24)
InChIKeySRJOVZDODJJRQS-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.09
Rot. Bonds5

About N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide

N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide (PubChem CID 9073279) has the molecular formula C20H16ClNO2 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide
PubChem CID9073279
Molecular FormulaC20H16ClNO2
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC NameN-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H16ClNO2/c21-17-7-9-18(10-8-17)22-20(24)12-11-19(23)16-6-5-14-3-1-2-4-15(14)13-16/h1-10,13H,11-12H2,(H,22,24)
InChIKeySRJOVZDODJJRQS-UHFFFAOYSA-N
XLogP5.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
CID 43053059
N-[4-(cyanomethyl)phenyl]-4-naphthalen-2-yl-4-oxobutanamide
CID 27163510
N-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide
CID 9077002
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide
CID 32837503
N-(2-chloro-4-fluorophenyl)-4-naphthalen-2-yl-4-oxobutanamide
CID 9079758
4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide
CID 2400388
N-ethyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9076388
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide
CID 108797024
N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
CID 9093109

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide?
The IUPAC name of N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide (CID 9073279) is N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide?
The canonical SMILES for N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide is O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide?
The InChIKey is SRJOVZDODJJRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2/c21-17-7-9-18(10-8-17)22-20(24)12-11-19(23)16-6-5-14-3-1-2-4-15(14)13-16/h1-10,13H,11-12H2,(H,22,24).
What are the key properties of N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide?
N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide has a molecular weight of 337.81 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide is sourced from PubChem (CID 9073279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).