2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide

C11H14ClFN2O — CID 115695872

IUPAC2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1cccc(Cl)c1F
InChIInChI=1S/C11H14ClFN2O/c1-7(11(16)14-2)15-6-8-4-3-5-9(12)10(8)13/h3-5,7,15H,6H2,1-2H3,(H,14,16)
InChIKeySPPOPABAKUWMNE-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.70
Rot. Bonds4

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

2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide (PubChem CID 115695872) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide
PubChem CID115695872
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1cccc(Cl)c1F
InChIInChI=1S/C11H14ClFN2O/c1-7(11(16)14-2)15-6-8-4-3-5-9(12)10(8)13/h3-5,7,15H,6H2,1-2H3,(H,14,16)
InChIKeySPPOPABAKUWMNE-UHFFFAOYSA-N
XLogP1.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide 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-chloro-2-fluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115664155
2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide
CID 102615565
(2R)-2-[(3-chloro-2-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 120511133
2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-methylpropanamide
CID 78959323
(2S)-2-[(3-chloro-2-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 114987154
1-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 102859822
3-[(3-chloro-2-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 103761965
(2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide
CID 103923547
1-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentan-3-amine
CID 106353786
(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 115664149
2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057403

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide (CID 115695872) is 2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide is CNC(=O)C(C)NCc1cccc(Cl)c1F.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide?
The InChIKey is SPPOPABAKUWMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-7(11(16)14-2)15-6-8-4-3-5-9(12)10(8)13/h3-5,7,15H,6H2,1-2H3,(H,14,16).
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide?
2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide has a molecular weight of 244.70 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 115695872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).