7-bromo-N-phenylheptanamide

C13H18BrNO — CID 11266084

IUPAC7-bromo-N-phenylheptanamide
SMILESO=C(CCCCCCBr)Nc1ccccc1
InChIInChI=1S/C13H18BrNO/c14-11-7-2-1-6-10-13(16)15-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,15,16)
InChIKeyIHEXWASGSZWAHN-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.97
Rot. Bonds7

About 7-bromo-N-phenylheptanamide

7-bromo-N-phenylheptanamide (PubChem CID 11266084) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 7-bromo-N-phenylheptanamide.

Molecular Properties

Compound Name7-bromo-N-phenylheptanamide
PubChem CID11266084
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name7-bromo-N-phenylheptanamide
SMILESO=C(CCCCCCBr)Nc1ccccc1
InChIInChI=1S/C13H18BrNO/c14-11-7-2-1-6-10-13(16)15-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,15,16)
InChIKeyIHEXWASGSZWAHN-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.97
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

11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
4-bromo-N-(4-phenylphenyl)butanamide
CID 45379211
3-(5-bromopentanoylamino)benzoic acid
CID 107908251
N-phenylpentacosanamide
CID 19025260
5,5-dibromo-N-phenylpentanamide
CID 174352057
N-phenyl-10-sulfanyldecanamide
CID 89127946
N-phenyl-9-sulfanylnonanamide
CID 89127947
N-phenylheptatetracontanamide
CID 150503307
8-oxo-N-phenyloctanamide
CID 15739209
5-oxo-N-phenylheptadecanamide
CID 3308902
bis[(8-anilino-8-oxooctanoyl)amino] hexanedioate
CID 66574923

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-phenylheptanamide?
The IUPAC name of 7-bromo-N-phenylheptanamide (CID 11266084) is 7-bromo-N-phenylheptanamide.
What is the SMILES notation for 7-bromo-N-phenylheptanamide?
The canonical SMILES for 7-bromo-N-phenylheptanamide is O=C(CCCCCCBr)Nc1ccccc1.
What is the InChIKey of 7-bromo-N-phenylheptanamide?
The InChIKey is IHEXWASGSZWAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-11-7-2-1-6-10-13(16)15-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,15,16).
What are the key properties of 7-bromo-N-phenylheptanamide?
7-bromo-N-phenylheptanamide has a molecular weight of 284.20 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-phenylheptanamide is sourced from PubChem (CID 11266084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).