N-(4-amino-2-chlorophenyl)-4-methylpentanamide

C12H17ClN2O — CID 28776887

IUPACN-(4-amino-2-chlorophenyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C12H17ClN2O/c1-8(2)3-6-12(16)15-11-5-4-9(14)7-10(11)13/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyDMRMDWHSXJZEFB-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.30
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-4-methylpentanamide

N-(4-amino-2-chlorophenyl)-4-methylpentanamide (PubChem CID 28776887) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-4-methylpentanamide
PubChem CID28776887
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(4-amino-2-chlorophenyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C12H17ClN2O/c1-8(2)3-6-12(16)15-11-5-4-9(14)7-10(11)13/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyDMRMDWHSXJZEFB-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-(4-amino-2-chlorophenyl)-4-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-(4-amino-2-chlorophenyl)-3-(3-methylbutylsulfanyl)propanamide
CID 107749068
N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
CID 107753895
N-(4-carbamothioyl-2-chlorophenyl)-4-methylpentanamide
CID 114003499
1-(4-amino-2-chlorophenyl)-3-(3-methylbutyl)urea
CID 127574183
N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylpentanamide
CID 107809853
N-(4-amino-2-chlorophenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide
CID 107770520
N-(4-amino-2-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81035190
N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide
CID 61287457
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232
N-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide
CID 43617467
N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide
CID 43262963

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-4-methylpentanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-4-methylpentanamide (CID 28776887) is N-(4-amino-2-chlorophenyl)-4-methylpentanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-4-methylpentanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-4-methylpentanamide is CC(C)CCC(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-4-methylpentanamide?
The InChIKey is DMRMDWHSXJZEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8(2)3-6-12(16)15-11-5-4-9(14)7-10(11)13/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16).
What are the key properties of N-(4-amino-2-chlorophenyl)-4-methylpentanamide?
N-(4-amino-2-chlorophenyl)-4-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-(4-amino-2-chlorophenyl)-4-methylpentanamide is sourced from PubChem (CID 28776887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).