3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide

C16H13ClFN3O — CID 109038857

IUPAC3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide
SMILESN#Cc1ccccc1NC(=O)CCNc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H13ClFN3O/c17-13-9-12(5-6-14(13)18)20-8-7-16(22)21-15-4-2-1-3-11(15)10-19/h1-6,9,20H,7-8H2,(H,21,22)
InChIKeyOEBKCEICVMAYBE-UHFFFAOYSA-N
MW317.75 g/mol
LogP3.79
Rot. Bonds5

About 3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide

3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide (PubChem CID 109038857) has the molecular formula C16H13ClFN3O and a molecular weight of 317.75 g/mol. Its IUPAC name is 3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide
PubChem CID109038857
Molecular FormulaC16H13ClFN3O
Molecular Weight317.75 g/mol
Exact Mass317.07
IUPAC Name3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide
SMILESN#Cc1ccccc1NC(=O)CCNc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H13ClFN3O/c17-13-9-12(5-6-14(13)18)20-8-7-16(22)21-15-4-2-1-3-11(15)10-19/h1-6,9,20H,7-8H2,(H,21,22)
InChIKeyOEBKCEICVMAYBE-UHFFFAOYSA-N
XLogP3.79
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)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

3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide
CID 109038248
N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
CID 109008740
3-(4-cyanoanilino)-N-(2-cyanophenyl)propanamide
CID 109042807
N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969217
N-(2-cyanophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 109042363
3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038862
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 109038796
3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide
CID 109042814
3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037798
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 2532266
3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042647

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide?
The IUPAC name of 3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide (CID 109038857) is 3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide is N#Cc1ccccc1NC(=O)CCNc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide?
The InChIKey is OEBKCEICVMAYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O/c17-13-9-12(5-6-14(13)18)20-8-7-16(22)21-15-4-2-1-3-11(15)10-19/h1-6,9,20H,7-8H2,(H,21,22).
What are the key properties of 3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide?
3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide has a molecular weight of 317.75 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide is sourced from PubChem (CID 109038857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).