2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride

C13H20Cl2N2O — CID 119270589

IUPAC2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)NCCc1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-9(2)12(15)13(17)16-7-6-10-4-3-5-11(14)8-10;/h3-5,8-9,12H,6-7,15H2,1-2H3,(H,16,17);1H
InChIKeyHEEGICKTDFWEAW-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.40
Rot. Bonds5

About 2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride

2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride (PubChem CID 119270589) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
PubChem CID119270589
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)NCCc1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-9(2)12(15)13(17)16-7-6-10-4-3-5-11(14)8-10;/h3-5,8-9,12H,6-7,15H2,1-2H3,(H,16,17);1H
InChIKeyHEEGICKTDFWEAW-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride 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-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 79013185
2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119263480
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282
(2S)-2-amino-N-[2-(3-chlorophenyl)ethyl]butanamide
CID 79022783
3-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]benzoic acid
CID 63794615
2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 61276094
(2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 103794106
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202005
2-(3-chlorophenyl)ethylurea
CID 127513466
N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 55122740
(2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide
CID 94784903

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride (CID 119270589) is 2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride is CC(C)C(N)C(=O)NCCc1cccc(Cl)c1.Cl.
What is the InChIKey of 2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride?
The InChIKey is HEEGICKTDFWEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O.ClH/c1-9(2)12(15)13(17)16-7-6-10-4-3-5-11(14)8-10;/h3-5,8-9,12H,6-7,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride?
2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride has a molecular weight of 291.22 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119270589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).