N-(2-amino-5-chlorophenyl)-2-methylpentanamide

C12H17ClN2O — CID 43209694

IUPACN-(2-amino-5-chlorophenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O/c1-3-4-8(2)12(16)15-11-7-9(13)5-6-10(11)14/h5-8H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyZFSVXHMYGVGUDB-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.30
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-2-methylpentanamide

N-(2-amino-5-chlorophenyl)-2-methylpentanamide (PubChem CID 43209694) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-methylpentanamide
PubChem CID43209694
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(2-amino-5-chlorophenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O/c1-3-4-8(2)12(16)15-11-7-9(13)5-6-10(11)14/h5-8H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyZFSVXHMYGVGUDB-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-chlorophenyl)-2-methylpentanamide 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-bromo-5-chlorophenyl)-2-methylpentanamide
CID 81272725
(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide
CID 884870
N-(2-amino-5-chlorophenyl)-2-ethylhexanamide
CID 43125435
N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide
CID 61304437
N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide
CID 61303642
N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide
CID 43274945
N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide
CID 61023322
N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide
CID 43127174
N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82005140
N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide
CID 107749184
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61244276
N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 16794251

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-methylpentanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-methylpentanamide (CID 43209694) is N-(2-amino-5-chlorophenyl)-2-methylpentanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-methylpentanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-methylpentanamide?
The InChIKey is ZFSVXHMYGVGUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-4-8(2)12(16)15-11-7-9(13)5-6-10(11)14/h5-8H,3-4,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-methylpentanamide?
N-(2-amino-5-chlorophenyl)-2-methylpentanamide has a molecular weight of 240.73 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-methylpentanamide is sourced from PubChem (CID 43209694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).