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

C10H9BrClNO — CID 2295980

IUPACN-(4-bromo-3-chlorophenyl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CC1
InChIInChI=1S/C10H9BrClNO/c11-8-4-3-7(5-9(8)12)13-10(14)6-1-2-6/h3-6H,1-2H2,(H,13,14)
InChIKeyVDEQHBQWIDGHIN-UHFFFAOYSA-N
MW274.55 g/mol
LogP3.45
Rot. Bonds2

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

N-(4-bromo-3-chlorophenyl)cyclopropanecarboxamide (PubChem CID 2295980) has the molecular formula C10H9BrClNO and a molecular weight of 274.55 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)cyclopropanecarboxamide
PubChem CID2295980
Molecular FormulaC10H9BrClNO
Molecular Weight274.55 g/mol
Exact Mass272.96
IUPAC NameN-(4-bromo-3-chlorophenyl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CC1
InChIInChI=1S/C10H9BrClNO/c11-8-4-3-7(5-9(8)12)13-10(14)6-1-2-6/h3-6H,1-2H2,(H,13,14)
InChIKeyVDEQHBQWIDGHIN-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.55
LogP ≤ 53.45
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)cyclopropanecarboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)cyclopropanecarboxamide (CID 2295980) is N-(4-bromo-3-chlorophenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)cyclopropanecarboxamide is O=C(Nc1ccc(Br)c(Cl)c1)C1CC1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)cyclopropanecarboxamide?
The InChIKey is VDEQHBQWIDGHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO/c11-8-4-3-7(5-9(8)12)13-10(14)6-1-2-6/h3-6H,1-2H2,(H,13,14).
What are the key properties of N-(4-bromo-3-chlorophenyl)cyclopropanecarboxamide?
N-(4-bromo-3-chlorophenyl)cyclopropanecarboxamide has a molecular weight of 274.55 g/mol, XLogP of 3.45, 2 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)cyclopropanecarboxamide is sourced from PubChem (CID 2295980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).