2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide

C13H18Cl2N2O — CID 113406685

IUPAC2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-8(2)17-13(18)9(3)16-7-10-4-11(14)6-12(15)5-10/h4-6,8-9,16H,7H2,1-3H3,(H,17,18)
InChIKeyPKXJTIHAEGRAPK-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.00
Rot. Bonds5

About 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide

2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 113406685) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
PubChem CID113406685
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-8(2)17-13(18)9(3)16-7-10-4-11(14)6-12(15)5-10/h4-6,8-9,16H,7H2,1-3H3,(H,17,18)
InChIKeyPKXJTIHAEGRAPK-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide 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

2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 55024294
2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide
CID 60789054
2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406683
2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide
CID 114452378
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 60654107
2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 106863106
2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115750730
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 107685981
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 112683661
2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide
CID 54896649
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 107124162

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide (CID 113406685) is 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is PKXJTIHAEGRAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-8(2)17-13(18)9(3)16-7-10-4-11(14)6-12(15)5-10/h4-6,8-9,16H,7H2,1-3H3,(H,17,18).
What are the key properties of 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide?
2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 289.21 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113406685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).