N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide

C15H24ClN3O — CID 43571687

IUPACN-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide
SMILESCCCC(C)N(C)CCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C15H24ClN3O/c1-4-5-11(2)19(3)9-8-15(20)18-14-7-6-12(16)10-13(14)17/h6-7,10-11H,4-5,8-9,17H2,1-3H3,(H,18,20)
InChIKeyBDUJYMJBCJHBGW-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.37
Rot. Bonds7

About N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide

N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide (PubChem CID 43571687) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide
PubChem CID43571687
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide
SMILESCCCC(C)N(C)CCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C15H24ClN3O/c1-4-5-11(2)19(3)9-8-15(20)18-14-7-6-12(16)10-13(14)17/h6-7,10-11H,4-5,8-9,17H2,1-3H3,(H,18,20)
InChIKeyBDUJYMJBCJHBGW-UHFFFAOYSA-N
XLogP3.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide 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-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005
N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790182
N-(2-amino-4-fluorophenyl)-4-[methyl(pentan-2-yl)amino]butanamide
CID 43571694
N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273330
N-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61450431
N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
CID 43295387
N-(2-amino-4-chlorophenyl)-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425953
N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63693562
N-(2-amino-4-fluorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985452
N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 16795601
N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879448
N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide
CID 61304444

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide (CID 43571687) is N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide is CCCC(C)N(C)CCC(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide?
The InChIKey is BDUJYMJBCJHBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-5-11(2)19(3)9-8-15(20)18-14-7-6-12(16)10-13(14)17/h6-7,10-11H,4-5,8-9,17H2,1-3H3,(H,18,20).
What are the key properties of N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide?
N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide has a molecular weight of 297.83 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide is sourced from PubChem (CID 43571687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).