4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide

C18H19ClN2O2 — CID 108796869

IUPAC4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide
SMILESCN(C)c1cccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O2/c1-21(2)16-5-3-4-15(12-16)20-18(23)11-10-17(22)13-6-8-14(19)9-7-13/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyFPQWSYIANGYQRR-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.01
Rot. Bonds6

About 4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide

4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide (PubChem CID 108796869) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide
PubChem CID108796869
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide
SMILESCN(C)c1cccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O2/c1-21(2)16-5-3-4-15(12-16)20-18(23)11-10-17(22)13-6-8-14(19)9-7-13/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyFPQWSYIANGYQRR-UHFFFAOYSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-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

4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
4-(4-chlorophenyl)-N-(3-iodophenyl)-4-oxobutanamide
CID 26757687
methyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate
CID 108797566
N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108796402
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523
ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate
CID 78910863
4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide
CID 108808181
N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide
CID 17454431
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
3-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2366241
N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26664486
3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide
CID 108795391

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide (CID 108796869) is 4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide is CN(C)c1cccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide?
The InChIKey is FPQWSYIANGYQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-21(2)16-5-3-4-15(12-16)20-18(23)11-10-17(22)13-6-8-14(19)9-7-13/h3-9,12H,10-11H2,1-2H3,(H,20,23).
What are the key properties of 4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide?
4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide has a molecular weight of 330.82 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide is sourced from PubChem (CID 108796869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).