4-(3,4-dichlorophenyl)butanamide

C10H11Cl2NO — CID 47319689

IUPAC4-(3,4-dichlorophenyl)butanamide
SMILESNC(=O)CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c11-8-5-4-7(6-9(8)12)2-1-3-10(13)14/h4-6H,1-3H2,(H2,13,14)
InChIKeyBPKAVAYZODHYGD-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.80
Rot. Bonds4

About 4-(3,4-dichlorophenyl)butanamide

4-(3,4-dichlorophenyl)butanamide (PubChem CID 47319689) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)butanamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)butanamide
PubChem CID47319689
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name4-(3,4-dichlorophenyl)butanamide
SMILESNC(=O)CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c11-8-5-4-7(6-9(8)12)2-1-3-10(13)14/h4-6H,1-3H2,(H2,13,14)
InChIKeyBPKAVAYZODHYGD-UHFFFAOYSA-N
XLogP2.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3,4-dichlorophenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide
CID 47286286
6-(3,4-dichlorophenyl)hexanoic acid
CID 43446941
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
3-(3-amino-4-chlorophenyl)propanamide
CID 83796770
N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide
CID 119628605
3-(4-amino-3-chlorophenyl)propanamide;hydrochloride
CID 90202691
4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83931253
2-[4-(3,4-dichlorophenyl)butanoylamino]-2-methylpropanoic acid
CID 94966647
2-[4-(3,4-dichlorophenyl)butanoyl-ethylamino]acetic acid
CID 119205864
4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide
CID 78897631
3-(4-chloro-3-formylphenyl)propanamide
CID 90949982
4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119432244

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)butanamide?
The IUPAC name of 4-(3,4-dichlorophenyl)butanamide (CID 47319689) is 4-(3,4-dichlorophenyl)butanamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)butanamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)butanamide is NC(=O)CCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)butanamide?
The InChIKey is BPKAVAYZODHYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c11-8-5-4-7(6-9(8)12)2-1-3-10(13)14/h4-6H,1-3H2,(H2,13,14).
What are the key properties of 4-(3,4-dichlorophenyl)butanamide?
4-(3,4-dichlorophenyl)butanamide has a molecular weight of 232.11 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)butanamide is sourced from PubChem (CID 47319689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).