N-(2-bromo-5-chlorophenyl)-2-chloropropanamide

C9H8BrCl2NO — CID 81264583

IUPACN-(2-bromo-5-chlorophenyl)-2-chloropropanamide
SMILESCC(Cl)C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C9H8BrCl2NO/c1-5(11)9(14)13-8-4-6(12)2-3-7(8)10/h2-5H,1H3,(H,13,14)
InChIKeyHOFLULHGZFXALE-UHFFFAOYSA-N
MW296.98 g/mol
LogP3.67
Rot. Bonds2

About N-(2-bromo-5-chlorophenyl)-2-chloropropanamide

N-(2-bromo-5-chlorophenyl)-2-chloropropanamide (PubChem CID 81264583) has the molecular formula C9H8BrCl2NO and a molecular weight of 296.98 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-2-chloropropanamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-2-chloropropanamide
PubChem CID81264583
Molecular FormulaC9H8BrCl2NO
Molecular Weight296.98 g/mol
Exact Mass294.92
IUPAC NameN-(2-bromo-5-chlorophenyl)-2-chloropropanamide
SMILESCC(Cl)C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C9H8BrCl2NO/c1-5(11)9(14)13-8-4-6(12)2-3-7(8)10/h2-5H,1H3,(H,13,14)
InChIKeyHOFLULHGZFXALE-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.98
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698
(2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide
CID 81271294
N-(2-bromo-5-chlorophenyl)-2-methylpentanamide
CID 81272725
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
(3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide
CID 81274652
2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715
methyl 4-chloro-2-(2-chloropropanoylamino)benzoate
CID 43346414
N-(2-bromo-5-chlorophenyl)-2-hydroxy-2-phenylacetamide
CID 114038606
2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 81279694
N-(2-bromo-4-methylphenyl)-2-chloropropanamide
CID 18877665
5-(2-bromo-5-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 81264315

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-2-chloropropanamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-2-chloropropanamide (CID 81264583) is N-(2-bromo-5-chlorophenyl)-2-chloropropanamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-2-chloropropanamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-2-chloropropanamide is CC(Cl)C(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-2-chloropropanamide?
The InChIKey is HOFLULHGZFXALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrCl2NO/c1-5(11)9(14)13-8-4-6(12)2-3-7(8)10/h2-5H,1H3,(H,13,14).
What are the key properties of N-(2-bromo-5-chlorophenyl)-2-chloropropanamide?
N-(2-bromo-5-chlorophenyl)-2-chloropropanamide has a molecular weight of 296.98 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-2-chloropropanamide is sourced from PubChem (CID 81264583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).