N-(4-bromo-3-chlorophenyl)butanamide

C10H11BrClNO — CID 717694

IUPACN-(4-bromo-3-chlorophenyl)butanamide
SMILESCCCC(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H11BrClNO/c1-2-3-10(14)13-7-4-5-8(11)9(12)6-7/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyHTWUGKZRNZHTOJ-UHFFFAOYSA-N
MW276.56 g/mol
LogP3.84
Rot. Bonds3

About N-(4-bromo-3-chlorophenyl)butanamide

N-(4-bromo-3-chlorophenyl)butanamide (PubChem CID 717694) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)butanamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)butanamide
PubChem CID717694
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC NameN-(4-bromo-3-chlorophenyl)butanamide
SMILESCCCC(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H11BrClNO/c1-2-3-10(14)13-7-4-5-8(11)9(12)6-7/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyHTWUGKZRNZHTOJ-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)butanamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)butanamide (CID 717694) is N-(4-bromo-3-chlorophenyl)butanamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)butanamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)butanamide is CCCC(=O)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)butanamide?
The InChIKey is HTWUGKZRNZHTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-2-3-10(14)13-7-4-5-8(11)9(12)6-7/h4-6H,2-3H2,1H3,(H,13,14).
What are the key properties of N-(4-bromo-3-chlorophenyl)butanamide?
N-(4-bromo-3-chlorophenyl)butanamide has a molecular weight of 276.56 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)butanamide is sourced from PubChem (CID 717694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).