2-bromo-N-phenylpentanamide

C11H14BrNO — CID 56980184

IUPAC2-bromo-N-phenylpentanamide
SMILESCCCC(Br)C(=O)Nc1ccccc1
InChIInChI=1S/C11H14BrNO/c1-2-6-10(12)11(14)13-9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H,13,14)
InChIKeyIZPQHKDIHSTKBB-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.19
Rot. Bonds4

About 2-bromo-N-phenylpentanamide

2-bromo-N-phenylpentanamide (PubChem CID 56980184) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-bromo-N-phenylpentanamide.

Molecular Properties

Compound Name2-bromo-N-phenylpentanamide
PubChem CID56980184
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-bromo-N-phenylpentanamide
SMILESCCCC(Br)C(=O)Nc1ccccc1
InChIInChI=1S/C11H14BrNO/c1-2-6-10(12)11(14)13-9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H,13,14)
InChIKeyIZPQHKDIHSTKBB-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.19
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

(2S)-N-(3-anilino-3-oxopropyl)-2-bromopentanamide
CID 40803155
2-bromo-N-(3-chlorophenyl)pentanamide
CID 19256824
2-methyl-N-phenylpentanamide
CID 4627801
(2R)-2-methoxy-N-phenylpentanamide
CID 70193042
2-(pentan-2-ylamino)-N-phenylpropanamide
CID 43083650
(2S)-N-(benzenesulfonyl)-2-bromopentanamide
CID 7035642
(2R)-2-bromo-N-[2-[[[(2R)-2-bromopentanoyl]amino]carbamoyl]phenyl]pentanamide
CID 2302264
2-bromo-N-(4-phenoxyphenyl)butanamide
CID 63463042
2-bromo-N-(4-methylphenyl)-3-phenylpropanamide
CID 43845154
2-(2-hydroxypentylamino)-N-phenylpropanamide
CID 113495789
(2S,3R)-3-ethenyl-2-methyl-N-phenylhexanamide
CID 14175926
2-benzoyl-N-phenylheptanamide
CID 87965233

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-phenylpentanamide?
The IUPAC name of 2-bromo-N-phenylpentanamide (CID 56980184) is 2-bromo-N-phenylpentanamide.
What is the SMILES notation for 2-bromo-N-phenylpentanamide?
The canonical SMILES for 2-bromo-N-phenylpentanamide is CCCC(Br)C(=O)Nc1ccccc1.
What is the InChIKey of 2-bromo-N-phenylpentanamide?
The InChIKey is IZPQHKDIHSTKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-2-6-10(12)11(14)13-9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-bromo-N-phenylpentanamide?
2-bromo-N-phenylpentanamide has a molecular weight of 256.14 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-phenylpentanamide is sourced from PubChem (CID 56980184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).