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

C9H9BrClNO — CID 832651

IUPACN-(4-bromo-3-chlorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H9BrClNO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)
InChIKeyUTCPSUJXHMKXBA-UHFFFAOYSA-N
MW262.53 g/mol
LogP3.45
Rot. Bonds2

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

N-(4-bromo-3-chlorophenyl)propanamide (PubChem CID 832651) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)propanamide
PubChem CID832651
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC NameN-(4-bromo-3-chlorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H9BrClNO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)
InChIKeyUTCPSUJXHMKXBA-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
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)propanamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)propanamide (CID 832651) is N-(4-bromo-3-chlorophenyl)propanamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)propanamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)propanamide is CCC(=O)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)propanamide?
The InChIKey is UTCPSUJXHMKXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of N-(4-bromo-3-chlorophenyl)propanamide?
N-(4-bromo-3-chlorophenyl)propanamide has a molecular weight of 262.53 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)propanamide is sourced from PubChem (CID 832651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).