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

C15H13Cl3N2O — CID 109037852

IUPACN-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
SMILESO=C(CCNc1ccc(Cl)cc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C15H13Cl3N2O/c16-10-5-6-13(12(18)9-10)19-8-7-15(21)20-14-4-2-1-3-11(14)17/h1-6,9,19H,7-8H2,(H,20,21)
InChIKeyVNKLECGGKGBPMR-UHFFFAOYSA-N
MW343.64 g/mol
LogP5.09
Rot. Bonds5

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

N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide (PubChem CID 109037852) has the molecular formula C15H13Cl3N2O and a molecular weight of 343.64 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
PubChem CID109037852
Molecular FormulaC15H13Cl3N2O
Molecular Weight343.64 g/mol
Exact Mass342.01
IUPAC NameN-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
SMILESO=C(CCNc1ccc(Cl)cc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C15H13Cl3N2O/c16-10-5-6-13(12(18)9-10)19-8-7-15(21)20-14-4-2-1-3-11(14)17/h1-6,9,19H,7-8H2,(H,20,21)
InChIKeyVNKLECGGKGBPMR-UHFFFAOYSA-N
XLogP5.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.64
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide
CID 109037533
3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide
CID 109037837
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795
3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109039266
N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide
CID 109035349
3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042170
3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
CID 109037305
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109037892
3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038316
methyl 2-[3-(2-chloroanilino)propanoylamino]benzoate
CID 109037899

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide (CID 109037852) is N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide is O=C(CCNc1ccc(Cl)cc1Cl)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide?
The InChIKey is VNKLECGGKGBPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O/c16-10-5-6-13(12(18)9-10)19-8-7-15(21)20-14-4-2-1-3-11(14)17/h1-6,9,19H,7-8H2,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide?
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide has a molecular weight of 343.64 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide is sourced from PubChem (CID 109037852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).