2-bromo-2-phenylheptanamide

C13H18BrNO — CID 57012582

IUPAC2-bromo-2-phenylheptanamide
SMILESCCCCCC(Br)(C(N)=O)c1ccccc1
InChIInChI=1S/C13H18BrNO/c1-2-3-7-10-13(14,12(15)16)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H2,15,16)
InChIKeyJOVBOFKLUGXZTG-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.34
Rot. Bonds6

About 2-bromo-2-phenylheptanamide

2-bromo-2-phenylheptanamide (PubChem CID 57012582) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-bromo-2-phenylheptanamide.

Molecular Properties

Compound Name2-bromo-2-phenylheptanamide
PubChem CID57012582
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-bromo-2-phenylheptanamide
SMILESCCCCCC(Br)(C(N)=O)c1ccccc1
InChIInChI=1S/C13H18BrNO/c1-2-3-7-10-13(14,12(15)16)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H2,15,16)
InChIKeyJOVBOFKLUGXZTG-UHFFFAOYSA-N
XLogP3.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-2-propan-2-yloctanamide
CID 141169465
2,2-diphenylhexanamide;hydrochloride
CID 142429226
2-nonyl-2-phenylpropanedioic acid
CID 70554602
1,1-diphenylhexan-1-amine
CID 20568221
2-amino-2-phenylnonanoic acid;hydrochloride
CID 11208398
2-methyl-2-phenyldecanoic acid
CID 154177551
calcium;hydride;2-octyl-2-phenylpropanedioic acid
CID 174969095
calcium;2-hexyl-2-phenylpropanedioic acid;hydride
CID 174967829
2-methyl-2-phenylnonadecanoic acid
CID 140988291
(9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide
CID 122703905
2,2-diphenyltridecan-7-one
CID 91284823
1,1-diphenyldodecan-1-amine
CID 19925745

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-phenylheptanamide?
The IUPAC name of 2-bromo-2-phenylheptanamide (CID 57012582) is 2-bromo-2-phenylheptanamide.
What is the SMILES notation for 2-bromo-2-phenylheptanamide?
The canonical SMILES for 2-bromo-2-phenylheptanamide is CCCCCC(Br)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-bromo-2-phenylheptanamide?
The InChIKey is JOVBOFKLUGXZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-2-3-7-10-13(14,12(15)16)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H2,15,16).
What are the key properties of 2-bromo-2-phenylheptanamide?
2-bromo-2-phenylheptanamide has a molecular weight of 284.20 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-phenylheptanamide is sourced from PubChem (CID 57012582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).