N-[2-(4-chlorophenyl)ethyl]butanamide

C12H16ClNO — CID 60628099

IUPACN-[2-(4-chlorophenyl)ethyl]butanamide
SMILESCCCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-2-3-12(15)14-9-8-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyVDGSPKQLCWJLDS-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.80
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]butanamide

N-[2-(4-chlorophenyl)ethyl]butanamide (PubChem CID 60628099) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]butanamide
PubChem CID60628099
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]butanamide
SMILESCCCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-2-3-12(15)14-9-8-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyVDGSPKQLCWJLDS-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(4-chlorophenyl)ethyl]butanamide 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-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-[2-(3,5-dichlorophenyl)ethyl]butanamide
CID 110478600
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
4-[2-(butanoylamino)ethyl]benzoic acid
CID 43665716
N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide
CID 109027923
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide
CID 3939091
N-(2-phenylethyl)butanamide;sulfuryl dichloride
CID 163813551
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide
CID 112984106

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]butanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]butanamide (CID 60628099) is N-[2-(4-chlorophenyl)ethyl]butanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]butanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]butanamide is CCCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]butanamide?
The InChIKey is VDGSPKQLCWJLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-2-3-12(15)14-9-8-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,14,15).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]butanamide?
N-[2-(4-chlorophenyl)ethyl]butanamide has a molecular weight of 225.72 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]butanamide is sourced from PubChem (CID 60628099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).