3,3-dichloro-N-(3,4-dichlorophenyl)propanamide

C9H7Cl4NO — CID 67062966

IUPAC3,3-dichloro-N-(3,4-dichlorophenyl)propanamide
SMILESO=C(CC(Cl)Cl)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H7Cl4NO/c10-6-2-1-5(3-7(6)11)14-9(15)4-8(12)13/h1-3,8H,4H2,(H,14,15)
InChIKeyGCDJEQSXWLKJPB-UHFFFAOYSA-N
MW286.97 g/mol
LogP4.13
Rot. Bonds3

About 3,3-dichloro-N-(3,4-dichlorophenyl)propanamide

3,3-dichloro-N-(3,4-dichlorophenyl)propanamide (PubChem CID 67062966) has the molecular formula C9H7Cl4NO and a molecular weight of 286.97 g/mol. Its IUPAC name is 3,3-dichloro-N-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3,3-dichloro-N-(3,4-dichlorophenyl)propanamide
PubChem CID67062966
Molecular FormulaC9H7Cl4NO
Molecular Weight286.97 g/mol
Exact Mass284.93
IUPAC Name3,3-dichloro-N-(3,4-dichlorophenyl)propanamide
SMILESO=C(CC(Cl)Cl)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H7Cl4NO/c10-6-2-1-5(3-7(6)11)14-9(15)4-8(12)13/h1-3,8H,4H2,(H,14,15)
InChIKeyGCDJEQSXWLKJPB-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.97
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297
3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 43105358
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
CID 71381636
N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
CID 108954400
propan-2-yl 3-(3,4-dichloroanilino)-3-oxopropanoate
CID 131843684
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
4-(3,4-dichloroanilino)-4-oxo-2-phenylsulfanylbutanoic acid
CID 134117749
(2S)-4-(3,4-dichloroanilino)-4-oxo-2-[(1S)-1-phenylethyl]butanoic acid
CID 1125985
N'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide
CID 108956848
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54810250
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-N-(3,4-dichlorophenyl)propanamide?
The IUPAC name of 3,3-dichloro-N-(3,4-dichlorophenyl)propanamide (CID 67062966) is 3,3-dichloro-N-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3,3-dichloro-N-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for 3,3-dichloro-N-(3,4-dichlorophenyl)propanamide is O=C(CC(Cl)Cl)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,3-dichloro-N-(3,4-dichlorophenyl)propanamide?
The InChIKey is GCDJEQSXWLKJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl4NO/c10-6-2-1-5(3-7(6)11)14-9(15)4-8(12)13/h1-3,8H,4H2,(H,14,15).
What are the key properties of 3,3-dichloro-N-(3,4-dichlorophenyl)propanamide?
3,3-dichloro-N-(3,4-dichlorophenyl)propanamide has a molecular weight of 286.97 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-N-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 67062966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).