2-amino-N-(3-chlorophenyl)-2-ethylbutanamide

C12H17ClN2O — CID 79809226

IUPAC2-amino-N-(3-chlorophenyl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-3-12(14,4-2)11(16)15-10-7-5-6-9(13)8-10/h5-8H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyJXEAHVAGWLBAEF-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.80
Rot. Bonds4

About 2-amino-N-(3-chlorophenyl)-2-ethylbutanamide

2-amino-N-(3-chlorophenyl)-2-ethylbutanamide (PubChem CID 79809226) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-amino-N-(3-chlorophenyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-chlorophenyl)-2-ethylbutanamide
PubChem CID79809226
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-amino-N-(3-chlorophenyl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-3-12(14,4-2)11(16)15-10-7-5-6-9(13)8-10/h5-8H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyJXEAHVAGWLBAEF-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-(3-chlorophenyl)-2-ethylbutanamide 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-(3-chlorophenyl)-2,2-bis(trifluoromethyl)butanamide
CID 3326093
2-amino-2-ethyl-N-(3-methoxyphenyl)butanamide
CID 79809500
(2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride
CID 119262061
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide
CID 81371976
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 116699866
N-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide
CID 14154828
N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968198
1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride
CID 156589611
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967452
ethyl 2-(3-chloroanilino)prop-2-enoate
CID 150837034
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chlorophenyl)-2-ethylbutanamide?
The IUPAC name of 2-amino-N-(3-chlorophenyl)-2-ethylbutanamide (CID 79809226) is 2-amino-N-(3-chlorophenyl)-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-(3-chlorophenyl)-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-(3-chlorophenyl)-2-ethylbutanamide is CCC(N)(CC)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-(3-chlorophenyl)-2-ethylbutanamide?
The InChIKey is JXEAHVAGWLBAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-12(14,4-2)11(16)15-10-7-5-6-9(13)8-10/h5-8H,3-4,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(3-chlorophenyl)-2-ethylbutanamide?
2-amino-N-(3-chlorophenyl)-2-ethylbutanamide has a molecular weight of 240.73 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chlorophenyl)-2-ethylbutanamide is sourced from PubChem (CID 79809226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).