N-(2-bromo-5-chlorophenyl)-3-chloropropanamide

C9H8BrCl2NO — CID 81263666

IUPACN-(2-bromo-5-chlorophenyl)-3-chloropropanamide
SMILESO=C(CCCl)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C9H8BrCl2NO/c10-7-2-1-6(12)5-8(7)13-9(14)3-4-11/h1-2,5H,3-4H2,(H,13,14)
InChIKeyVSQBWSJUKZPOJD-UHFFFAOYSA-N
MW296.98 g/mol
LogP3.67
Rot. Bonds3

About N-(2-bromo-5-chlorophenyl)-3-chloropropanamide

N-(2-bromo-5-chlorophenyl)-3-chloropropanamide (PubChem CID 81263666) has the molecular formula C9H8BrCl2NO and a molecular weight of 296.98 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-3-chloropropanamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-3-chloropropanamide
PubChem CID81263666
Molecular FormulaC9H8BrCl2NO
Molecular Weight296.98 g/mol
Exact Mass294.92
IUPAC NameN-(2-bromo-5-chlorophenyl)-3-chloropropanamide
SMILESO=C(CCCl)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C9H8BrCl2NO/c10-7-2-1-6(12)5-8(7)13-9(14)3-4-11/h1-2,5H,3-4H2,(H,13,14)
InChIKeyVSQBWSJUKZPOJD-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

N-(2-bromo-4-chlorophenyl)-3-chloropropanamide
CID 81264246
3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide
CID 95909610
6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide
CID 81271124
N-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide
CID 81272017
N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide
CID 81263840
N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide
CID 81270486
4-chloro-N-(2,5-dibromophenyl)butanamide
CID 63307782
N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide
CID 103020720
N-(2-bromophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038471
3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038412
5-(2-bromo-5-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 81264315
N-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetamide
CID 81270958

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-3-chloropropanamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-3-chloropropanamide (CID 81263666) is N-(2-bromo-5-chlorophenyl)-3-chloropropanamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-3-chloropropanamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-3-chloropropanamide is O=C(CCCl)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-3-chloropropanamide?
The InChIKey is VSQBWSJUKZPOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrCl2NO/c10-7-2-1-6(12)5-8(7)13-9(14)3-4-11/h1-2,5H,3-4H2,(H,13,14).
What are the key properties of N-(2-bromo-5-chlorophenyl)-3-chloropropanamide?
N-(2-bromo-5-chlorophenyl)-3-chloropropanamide has a molecular weight of 296.98 g/mol, XLogP of 3.67, 3 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)-3-chloropropanamide is sourced from PubChem (CID 81263666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).