2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide

C13H18ClFN2O — CID 114452378

IUPAC2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H18ClFN2O/c1-3-4-16-13(18)9(2)17-8-10-5-11(14)7-12(15)6-10/h5-7,9,17H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyVKJHAHRZEKKZFD-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.48
Rot. Bonds6

About 2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide

2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide (PubChem CID 114452378) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide
PubChem CID114452378
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H18ClFN2O/c1-3-4-16-13(18)9(2)17-8-10-5-11(14)7-12(15)6-10/h5-7,9,17H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyVKJHAHRZEKKZFD-UHFFFAOYSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide 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-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63050518
2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide
CID 104953387
2-[(3-bromo-4-fluorophenyl)methylamino]-N-propylpropanamide
CID 43221804
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 60702818
tert-butyl N-[2-[(3-chloro-5-fluorophenyl)methylamino]propyl]carbamate
CID 107248595
2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406685
2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide
CID 43123289
N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide
CID 115579695
2-[(4-iodophenyl)methylamino]-N-propylpropanamide
CID 65477779
N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide
CID 43221777
2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide
CID 81495089
N-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 114453134

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide (CID 114452378) is 2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1cc(F)cc(Cl)c1.
What is the InChIKey of 2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide?
The InChIKey is VKJHAHRZEKKZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-3-4-16-13(18)9(2)17-8-10-5-11(14)7-12(15)6-10/h5-7,9,17H,3-4,8H2,1-2H3,(H,16,18).
What are the key properties of 2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide?
2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide has a molecular weight of 272.75 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 114452378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).