4-(3-chloroanilino)butanamide

C10H13ClN2O — CID 67066977

IUPAC4-(3-chloroanilino)butanamide
SMILESNC(=O)CCCNc1cccc(Cl)c1
InChIInChI=1S/C10H13ClN2O/c11-8-3-1-4-9(7-8)13-6-2-5-10(12)14/h1,3-4,7,13H,2,5-6H2,(H2,12,14)
InChIKeyIHYRLLUWVZGMAN-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.02
Rot. Bonds5

About 4-(3-chloroanilino)butanamide

4-(3-chloroanilino)butanamide (PubChem CID 67066977) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-(3-chloroanilino)butanamide.

Molecular Properties

Compound Name4-(3-chloroanilino)butanamide
PubChem CID67066977
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name4-(3-chloroanilino)butanamide
SMILESNC(=O)CCCNc1cccc(Cl)c1
InChIInChI=1S/C10H13ClN2O/c11-8-3-1-4-9(7-8)13-6-2-5-10(12)14/h1,3-4,7,13H,2,5-6H2,(H2,12,14)
InChIKeyIHYRLLUWVZGMAN-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-anilinobutanamide
CID 67066705
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
N'-(3-chlorophenyl)ethane-1,2-diamine
CID 11008376
3-(3-chloroanilino)-N-phenylpropanamide
CID 109033817
N-tert-butyl-3-(3-chloroanilino)propanamide
CID 109031344
3-[(3-amino-3-oxopropyl)amino]benzamide
CID 107811145
1-(4-amino-4-sulfanylidenebutyl)-3-(3-chlorophenyl)urea
CID 62668290
3-(3-methoxyanilino)propanamide
CID 43131962
2-(3-chloroanilino)ethanethioamide
CID 82076448
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
1-(3-chloroanilino)propan-2-one
CID 21364413
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroanilino)butanamide?
The IUPAC name of 4-(3-chloroanilino)butanamide (CID 67066977) is 4-(3-chloroanilino)butanamide.
What is the SMILES notation for 4-(3-chloroanilino)butanamide?
The canonical SMILES for 4-(3-chloroanilino)butanamide is NC(=O)CCCNc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chloroanilino)butanamide?
The InChIKey is IHYRLLUWVZGMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-8-3-1-4-9(7-8)13-6-2-5-10(12)14/h1,3-4,7,13H,2,5-6H2,(H2,12,14).
What are the key properties of 4-(3-chloroanilino)butanamide?
4-(3-chloroanilino)butanamide has a molecular weight of 212.68 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroanilino)butanamide is sourced from PubChem (CID 67066977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).