N-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide

C14H21Cl2N3O — CID 43098984

IUPACN-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide
SMILESCCCCN(C)C(C)C(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-4-5-6-19(3)9(2)14(20)18-13-11(16)7-10(15)8-12(13)17/h7-9H,4-6,17H2,1-3H3,(H,18,20)
InChIKeyKNHSPHLAQAVHFR-UHFFFAOYSA-N
MW318.25 g/mol
LogP3.63
Rot. Bonds6

About N-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide

N-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide (PubChem CID 43098984) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide
PubChem CID43098984
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide
SMILESCCCCN(C)C(C)C(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-4-5-6-19(3)9(2)14(20)18-13-11(16)7-10(15)8-12(13)17/h7-9H,4-6,17H2,1-3H3,(H,18,20)
InChIKeyKNHSPHLAQAVHFR-UHFFFAOYSA-N
XLogP3.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)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-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide
CID 43294459
N-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide
CID 43274116
N-(2-amino-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
CID 43263787
N-(2-amino-4,6-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide
CID 43125827
N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide
CID 18069901
N-(2-amino-4,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 43107186
N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295373
N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515
N-(2-amino-4-chlorophenyl)-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425953
N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879345
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43262968

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide (CID 43098984) is N-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide is CCCCN(C)C(C)C(=O)Nc1c(N)cc(Cl)cc1Cl.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide?
The InChIKey is KNHSPHLAQAVHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O/c1-4-5-6-19(3)9(2)14(20)18-13-11(16)7-10(15)8-12(13)17/h7-9H,4-6,17H2,1-3H3,(H,18,20).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide?
N-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide has a molecular weight of 318.25 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide is sourced from PubChem (CID 43098984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).