3-(2,3-dichloroanilino)butanamide

C10H12Cl2N2O — CID 82086378

IUPAC3-(2,3-dichloroanilino)butanamide
SMILESCC(CC(N)=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-6(5-9(13)15)14-8-4-2-3-7(11)10(8)12/h2-4,6,14H,5H2,1H3,(H2,13,15)
InChIKeyGSHXTYIRKIMMOA-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.67
Rot. Bonds4

About 3-(2,3-dichloroanilino)butanamide

3-(2,3-dichloroanilino)butanamide (PubChem CID 82086378) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 3-(2,3-dichloroanilino)butanamide.

Molecular Properties

Compound Name3-(2,3-dichloroanilino)butanamide
PubChem CID82086378
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name3-(2,3-dichloroanilino)butanamide
SMILESCC(CC(N)=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-6(5-9(13)15)14-8-4-2-3-7(11)10(8)12/h2-4,6,14H,5H2,1H3,(H2,13,15)
InChIKeyGSHXTYIRKIMMOA-UHFFFAOYSA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-bromo-2-(hydroxymethyl)anilino]butanamide
CID 115929266
3-(2-chloroanilino)-N-methylbutanamide
CID 115928184
3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid
CID 61200387
methyl 3-(3-chloro-2-methylanilino)butanoate
CID 43536622
ethyl 2-(2,3-dichloroanilino)butanoate
CID 64667551
3-(2,3-dichloroanilino)propanamide
CID 43152512
3-[(2,3,6-trichlorophenyl)methylamino]butanamide
CID 113250261
3-amino-N-(2,3-dichlorophenyl)-2-methylpropanamide
CID 62669970
3-(2-chloro-4-nitroanilino)butanamide
CID 115647560
N-(3-chloro-2-methylphenyl)-2-methylbutanediamide
CID 82120222
3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide
CID 103480356
(3S)-3-amino-3-(2,3-dichlorophenyl)propanamide
CID 29060246

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichloroanilino)butanamide?
The IUPAC name of 3-(2,3-dichloroanilino)butanamide (CID 82086378) is 3-(2,3-dichloroanilino)butanamide.
What is the SMILES notation for 3-(2,3-dichloroanilino)butanamide?
The canonical SMILES for 3-(2,3-dichloroanilino)butanamide is CC(CC(N)=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichloroanilino)butanamide?
The InChIKey is GSHXTYIRKIMMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-6(5-9(13)15)14-8-4-2-3-7(11)10(8)12/h2-4,6,14H,5H2,1H3,(H2,13,15).
What are the key properties of 3-(2,3-dichloroanilino)butanamide?
3-(2,3-dichloroanilino)butanamide has a molecular weight of 247.12 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichloroanilino)butanamide is sourced from PubChem (CID 82086378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).