N-(4-bromophenyl)-2-chloropropanamide

C9H9BrClNO — CID 532270

IUPACN-(4-bromophenyl)-2-chloropropanamide
SMILESCC(Cl)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C9H9BrClNO/c1-6(11)9(13)12-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,12,13)
InChIKeyXUBDXLHGPBQDQM-UHFFFAOYSA-N
MW262.53 g/mol
LogP3.01
Rot. Bonds2

About N-(4-bromophenyl)-2-chloropropanamide

N-(4-bromophenyl)-2-chloropropanamide (PubChem CID 532270) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-chloropropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-chloropropanamide
PubChem CID532270
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC NameN-(4-bromophenyl)-2-chloropropanamide
SMILESCC(Cl)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C9H9BrClNO/c1-6(11)9(13)12-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,12,13)
InChIKeyXUBDXLHGPBQDQM-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-chloropropanamide?
The IUPAC name of N-(4-bromophenyl)-2-chloropropanamide (CID 532270) is N-(4-bromophenyl)-2-chloropropanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-chloropropanamide?
The canonical SMILES for N-(4-bromophenyl)-2-chloropropanamide is CC(Cl)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-chloropropanamide?
The InChIKey is XUBDXLHGPBQDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c1-6(11)9(13)12-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,12,13).
What are the key properties of N-(4-bromophenyl)-2-chloropropanamide?
N-(4-bromophenyl)-2-chloropropanamide has a molecular weight of 262.53 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-chloropropanamide is sourced from PubChem (CID 532270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).