5,5-dibromo-N-phenylpentanamide

C11H13Br2NO — CID 174352057

IUPAC5,5-dibromo-N-phenylpentanamide
SMILESO=C(CCCC(Br)Br)Nc1ccccc1
InChIInChI=1S/C11H13Br2NO/c12-10(13)7-4-8-11(15)14-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,14,15)
InChIKeyVNBQRPSTDVFSMW-UHFFFAOYSA-N
MW335.04 g/mol
LogP3.91
Rot. Bonds5

About 5,5-dibromo-N-phenylpentanamide

5,5-dibromo-N-phenylpentanamide (PubChem CID 174352057) has the molecular formula C11H13Br2NO and a molecular weight of 335.04 g/mol. Its IUPAC name is 5,5-dibromo-N-phenylpentanamide.

Molecular Properties

Compound Name5,5-dibromo-N-phenylpentanamide
PubChem CID174352057
Molecular FormulaC11H13Br2NO
Molecular Weight335.04 g/mol
Exact Mass332.94
IUPAC Name5,5-dibromo-N-phenylpentanamide
SMILESO=C(CCCC(Br)Br)Nc1ccccc1
InChIInChI=1S/C11H13Br2NO/c12-10(13)7-4-8-11(15)14-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,14,15)
InChIKeyVNBQRPSTDVFSMW-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.04
LogP ≤ 53.91
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

7-bromo-N-phenylheptanamide
CID 11266084
(5S)-5-hydroxy-N-phenyloct-6-enamide
CID 91143189
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
(5R)-5-methyl-N,6-diphenylhexanamide
CID 102237947
4-bromo-N-(4-phenylphenyl)butanamide
CID 45379211
N-phenylheptatetracontanamide
CID 150503307
N-phenylpentacosanamide
CID 19025260
N-phenyl-10-sulfanyldecanamide
CID 89127946
5-anilino-2-methyl-5-oxopentanoic acid
CID 2950289
6-oxo-N-phenylhexanamide
CID 19422082
(2R)-5-anilino-2-methyl-5-oxopentanoic acid
CID 976695

Frequently Asked Questions

What is the IUPAC name of 5,5-dibromo-N-phenylpentanamide?
The IUPAC name of 5,5-dibromo-N-phenylpentanamide (CID 174352057) is 5,5-dibromo-N-phenylpentanamide.
What is the SMILES notation for 5,5-dibromo-N-phenylpentanamide?
The canonical SMILES for 5,5-dibromo-N-phenylpentanamide is O=C(CCCC(Br)Br)Nc1ccccc1.
What is the InChIKey of 5,5-dibromo-N-phenylpentanamide?
The InChIKey is VNBQRPSTDVFSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO/c12-10(13)7-4-8-11(15)14-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,14,15).
What are the key properties of 5,5-dibromo-N-phenylpentanamide?
5,5-dibromo-N-phenylpentanamide has a molecular weight of 335.04 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibromo-N-phenylpentanamide is sourced from PubChem (CID 174352057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).