N-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide

C15H23Cl2N3O — CID 43274116

IUPACN-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide
SMILESCCC(C)N(CC)C(C)C(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N3O/c1-5-9(3)20(6-2)10(4)15(21)19-14-12(17)7-11(16)8-13(14)18/h7-10H,5-6,18H2,1-4H3,(H,19,21)
InChIKeyFIYXGVGASRFNAK-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.02
Rot. Bonds6

About N-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide

N-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide (PubChem CID 43274116) has the molecular formula C15H23Cl2N3O and a molecular weight of 332.28 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide
PubChem CID43274116
Molecular FormulaC15H23Cl2N3O
Molecular Weight332.28 g/mol
Exact Mass331.12
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide
SMILESCCC(C)N(CC)C(C)C(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N3O/c1-5-9(3)20(6-2)10(4)15(21)19-14-12(17)7-11(16)8-13(14)18/h7-10H,5-6,18H2,1-4H3,(H,19,21)
InChIKeyFIYXGVGASRFNAK-UHFFFAOYSA-N
XLogP4.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.02
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-[butan-2-yl(ethyl)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-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
CID 43263787
N-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide
CID 43098984
N-(2-amino-4,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 43107186
N-(2-amino-4,6-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide
CID 43125827
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
(2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide
CID 61173513
2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101399
N-(2-amino-4,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 43080376
N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 43078334
N-(2-amino-4,6-dichlorophenyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 43540670
N-(2-amino-4,6-dichlorophenyl)-4-[ethyl(2-hydroxyethyl)amino]butanamide
CID 60981032

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide (CID 43274116) is N-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide is CCC(C)N(CC)C(C)C(=O)Nc1c(N)cc(Cl)cc1Cl.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide?
The InChIKey is FIYXGVGASRFNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3O/c1-5-9(3)20(6-2)10(4)15(21)19-14-12(17)7-11(16)8-13(14)18/h7-10H,5-6,18H2,1-4H3,(H,19,21).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide?
N-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide has a molecular weight of 332.28 g/mol, XLogP of 4.02, 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-[butan-2-yl(ethyl)amino]propanamide is sourced from PubChem (CID 43274116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).