N-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide

C13H18Cl2N2O — CID 109012904

IUPACN-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide
SMILESCC(C)CNCCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-9(2)8-16-6-5-13(18)17-12-7-10(14)3-4-11(12)15/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyHHVGVJXHMLHBJS-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.57
Rot. Bonds6

About N-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide

N-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide (PubChem CID 109012904) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide
PubChem CID109012904
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC NameN-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide
SMILESCC(C)CNCCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-9(2)8-16-6-5-13(18)17-12-7-10(14)3-4-11(12)15/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyHHVGVJXHMLHBJS-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,5-dichlorophenyl)-3-(2-methylpropylamino)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-(2,5-dichlorophenyl)-2-(2-methylpropylamino)acetamide
CID 108993299
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012899
3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide
CID 109021928
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide
CID 109041273
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-(4-chloro-2-methylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032034
N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035917
3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 113137172
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183
2-[3-(2,5-dichloroanilino)-3-oxopropyl]sulfanyl-3-methylbutanoic acid
CID 105354260

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide (CID 109012904) is N-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide is CC(C)CNCCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide?
The InChIKey is HHVGVJXHMLHBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-9(2)8-16-6-5-13(18)17-12-7-10(14)3-4-11(12)15/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of N-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide?
N-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide has a molecular weight of 289.21 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide is sourced from PubChem (CID 109012904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).