2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide

C13H18ClFN2O — CID 113406683

IUPAC2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H18ClFN2O/c1-8(2)17-13(18)9(3)16-7-10-4-5-11(14)12(15)6-10/h4-6,8-9,16H,7H2,1-3H3,(H,17,18)
InChIKeyFXPYZACEFJCQHD-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.48
Rot. Bonds5

About 2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide

2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 113406683) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
PubChem CID113406683
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H18ClFN2O/c1-8(2)17-13(18)9(3)16-7-10-4-5-11(14)12(15)6-10/h4-6,8-9,16H,7H2,1-3H3,(H,17,18)
InChIKeyFXPYZACEFJCQHD-UHFFFAOYSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(4-chloro-3-fluorophenyl)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-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 112683661
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 107685981
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
(2S)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 120510473
2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 55024294
2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406685
2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057983
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-bromo-3-fluorophenyl)methylamino]-N-methylpropanamide
CID 81002150
(2S)-2-[(3,4-difluorophenyl)methylamino]propanoic acid
CID 83195012
2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115750730

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide (CID 113406683) is 2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NCc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is FXPYZACEFJCQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-8(2)17-13(18)9(3)16-7-10-4-5-11(14)12(15)6-10/h4-6,8-9,16H,7H2,1-3H3,(H,17,18).
What are the key properties of 2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide?
2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 272.75 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113406683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).