N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide

C17H18ClFN2O — CID 109035868

IUPACN-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide
SMILESCc1cccc(C)c1NCCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClFN2O/c1-11-4-3-5-12(2)17(11)20-9-8-16(22)21-13-6-7-15(19)14(18)10-13/h3-7,10,20H,8-9H2,1-2H3,(H,21,22)
InChIKeyOUYMJKSBWPNLOG-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.54
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide

N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide (PubChem CID 109035868) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide
PubChem CID109035868
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide
SMILESCc1cccc(C)c1NCCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClFN2O/c1-11-4-3-5-12(2)17(11)20-9-8-16(22)21-13-6-7-15(19)14(18)10-13/h3-7,10,20H,8-9H2,1-2H3,(H,21,22)
InChIKeyOUYMJKSBWPNLOG-UHFFFAOYSA-N
XLogP4.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)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-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide
CID 109038664
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437
N-(3,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035918
3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038862
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035866
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019338
N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035917
N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide
CID 109038643
3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 109038951
N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109038794
N-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide
CID 109038759

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide (CID 109035868) is N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide is Cc1cccc(C)c1NCCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide?
The InChIKey is OUYMJKSBWPNLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c1-11-4-3-5-12(2)17(11)20-9-8-16(22)21-13-6-7-15(19)14(18)10-13/h3-7,10,20H,8-9H2,1-2H3,(H,21,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide?
N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide has a molecular weight of 320.80 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide is sourced from PubChem (CID 109035868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).