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

C15H13Cl2FN2O — CID 109037533

IUPAC3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide
SMILESO=C(CCNc1ccc(Cl)cc1Cl)Nc1ccccc1F
InChIInChI=1S/C15H13Cl2FN2O/c16-10-5-6-13(11(17)9-10)19-8-7-15(21)20-14-4-2-1-3-12(14)18/h1-6,9,19H,7-8H2,(H,20,21)
InChIKeyPNNGATUICLUEBY-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.57
Rot. Bonds5

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

3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide (PubChem CID 109037533) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide
PubChem CID109037533
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide
SMILESO=C(CCNc1ccc(Cl)cc1Cl)Nc1ccccc1F
InChIInChI=1S/C15H13Cl2FN2O/c16-10-5-6-13(11(17)9-10)19-8-7-15(21)20-14-4-2-1-3-12(14)18/h1-6,9,19H,7-8H2,(H,20,21)
InChIKeyPNNGATUICLUEBY-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

N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-fluorophenyl)propanamide
CID 109037505
3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109039266
3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042170
N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide
CID 109035088
methyl 4-chloro-3-[3-(2-fluoroanilino)propanoylamino]benzoate
CID 109037585
3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide
CID 109021863
3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide
CID 109037500
N-(2-fluorophenyl)butanamide
CID 849021
3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038528
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide
CID 108952631
3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042647

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide (CID 109037533) is 3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide is O=C(CCNc1ccc(Cl)cc1Cl)Nc1ccccc1F.
What is the InChIKey of 3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide?
The InChIKey is PNNGATUICLUEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c16-10-5-6-13(11(17)9-10)19-8-7-15(21)20-14-4-2-1-3-12(14)18/h1-6,9,19H,7-8H2,(H,20,21).
What are the key properties of 3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide?
3-(2,4-dichloroanilino)-N-(2-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-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 109037533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).