3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide

C15H13Cl3N2O — CID 109038091

IUPAC3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide
SMILESO=C(CCNc1cccc(Cl)c1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl3N2O/c16-10-3-1-4-11(9-10)19-8-7-14(21)20-13-6-2-5-12(17)15(13)18/h1-6,9,19H,7-8H2,(H,20,21)
InChIKeyGXXSQJKUOOHRFO-UHFFFAOYSA-N
MW343.64 g/mol
LogP5.09
Rot. Bonds5

About 3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide

3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide (PubChem CID 109038091) has the molecular formula C15H13Cl3N2O and a molecular weight of 343.64 g/mol. Its IUPAC name is 3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide
PubChem CID109038091
Molecular FormulaC15H13Cl3N2O
Molecular Weight343.64 g/mol
Exact Mass342.01
IUPAC Name3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide
SMILESO=C(CCNc1cccc(Cl)c1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl3N2O/c16-10-3-1-4-11(9-10)19-8-7-14(21)20-13-6-2-5-12(17)15(13)18/h1-6,9,19H,7-8H2,(H,20,21)
InChIKeyGXXSQJKUOOHRFO-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-(3-chloroanilino)-N-phenylpropanamide
CID 109033817
3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042170
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109037972
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
N-tert-butyl-3-(3-chloroanilino)propanamide
CID 109031344
3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 109038046
3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide
CID 109039529
3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037798
N-(2,3-dichlorophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100051
3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide
CID 109038068
3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042647
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide?
The IUPAC name of 3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide (CID 109038091) is 3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for 3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide is O=C(CCNc1cccc(Cl)c1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide?
The InChIKey is GXXSQJKUOOHRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O/c16-10-3-1-4-11(9-10)19-8-7-14(21)20-13-6-2-5-12(17)15(13)18/h1-6,9,19H,7-8H2,(H,20,21).
What are the key properties of 3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide?
3-(3-chloroanilino)-N-(2,3-dichlorophenyl)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 3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 109038091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).