3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane

C20H36ClNO — CID 143571262

IUPAC3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane
SMILESCC.CC.CCCCC(CC)NC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO.2C2H6/c1-3-5-6-15(4-2)18-16(19)12-9-13-7-10-14(17)11-8-13;2*1-2/h7-8,10-11,15H,3-6,9,12H2,1-2H3,(H,18,19);2*1-2H3
InChIKeyAZWVSSTTWDAXJT-UHFFFAOYSA-N
MW341.97 g/mol
LogP6.41
Rot. Bonds8

About 3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane

3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane (PubChem CID 143571262) has the molecular formula C20H36ClNO and a molecular weight of 341.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane
PubChem CID143571262
Molecular FormulaC20H36ClNO
Molecular Weight341.97 g/mol
Exact Mass341.25
IUPAC Name3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane
SMILESCC.CC.CCCCC(CC)NC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO.2C2H6/c1-3-5-6-15(4-2)18-16(19)12-9-13-7-10-14(17)11-8-13;2*1-2/h7-8,10-11,15H,3-6,9,12H2,1-2H3,(H,18,19);2*1-2H3
InChIKeyAZWVSSTTWDAXJT-UHFFFAOYSA-N
XLogP6.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.97
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane 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

3-(4-chlorophenyl)-N-pentan-3-ylpropanamide
CID 94500233
3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920079
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 93032401
N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 109479313
(2S)-2-[3-(4-methylphenyl)propanoylamino]hexanoic acid
CID 107143935
(2S)-2-[3-(3,4-difluorophenyl)propanoylamino]hexanoic acid
CID 107144250
butyl 3-(4-chlorophenyl)propanoate
CID 24808099
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide
CID 108542578
3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide
CID 19220836
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
(2S)-2-[3-(3-chloro-4-methylphenyl)propanoylamino]hexanoic acid
CID 107144182

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane?
The IUPAC name of 3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane (CID 143571262) is 3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane.
What is the SMILES notation for 3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane?
The canonical SMILES for 3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane is CC.CC.CCCCC(CC)NC(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane?
The InChIKey is AZWVSSTTWDAXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO.2C2H6/c1-3-5-6-15(4-2)18-16(19)12-9-13-7-10-14(17)11-8-13;2*1-2/h7-8,10-11,15H,3-6,9,12H2,1-2H3,(H,18,19);2*1-2H3.
What are the key properties of 3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane?
3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane has a molecular weight of 341.97 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane is sourced from PubChem (CID 143571262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).