3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide

C15H13Cl2FN2O — CID 109037695

IUPAC3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
SMILESO=C(CCNc1cc(Cl)ccc1Cl)Nc1ccc(F)cc1
InChIInChI=1S/C15H13Cl2FN2O/c16-10-1-6-13(17)14(9-10)19-8-7-15(21)20-12-4-2-11(18)3-5-12/h1-6,9,19H,7-8H2,(H,20,21)
InChIKeyCWZDLDCULBTJJR-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.57
Rot. Bonds5

About 3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide

3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide (PubChem CID 109037695) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
PubChem CID109037695
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
SMILESO=C(CCNc1cc(Cl)ccc1Cl)Nc1ccc(F)cc1
InChIInChI=1S/C15H13Cl2FN2O/c16-10-1-6-13(17)14(9-10)19-8-7-15(21)20-12-4-2-11(18)3-5-12/h1-6,9,19H,7-8H2,(H,20,21)
InChIKeyCWZDLDCULBTJJR-UHFFFAOYSA-N
XLogP4.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-fluorophenyl)propanamide
CID 109037666
N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109041021
3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037696
3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide
CID 109041273
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437
2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 993101
N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109038175
N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109040864
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide
CID 109037746
N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042632
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide (CID 109037695) is 3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide is O=C(CCNc1cc(Cl)ccc1Cl)Nc1ccc(F)cc1.
What is the InChIKey of 3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide?
The InChIKey is CWZDLDCULBTJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c16-10-1-6-13(17)14(9-10)19-8-7-15(21)20-12-4-2-11(18)3-5-12/h1-6,9,19H,7-8H2,(H,20,21).
What are the key properties of 3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide?
3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide has a molecular weight of 327.19 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 109037695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).