2-benzoyl-N-phenylheptanamide

C20H23NO2 — CID 87965233

IUPAC2-benzoyl-N-phenylheptanamide
SMILESCCCCCC(C(=O)Nc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-2-3-6-15-18(19(22)16-11-7-4-8-12-16)20(23)21-17-13-9-5-10-14-17/h4-5,7-14,18H,2-3,6,15H2,1H3,(H,21,23)
InChIKeyBERHFFVCVMEINB-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.70
Rot. Bonds8

About 2-benzoyl-N-phenylheptanamide

2-benzoyl-N-phenylheptanamide (PubChem CID 87965233) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-benzoyl-N-phenylheptanamide.

Molecular Properties

Compound Name2-benzoyl-N-phenylheptanamide
PubChem CID87965233
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-benzoyl-N-phenylheptanamide
SMILESCCCCCC(C(=O)Nc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-2-3-6-15-18(19(22)16-11-7-4-8-12-16)20(23)21-17-13-9-5-10-14-17/h4-5,7-14,18H,2-3,6,15H2,1H3,(H,21,23)
InChIKeyBERHFFVCVMEINB-UHFFFAOYSA-N
XLogP4.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-benzoyldodecanamide
CID 87280750
2-tert-butyl-N-phenylheptanamide
CID 67683128
methyl 4-anilino-3-benzoyl-4-oxobutanoate
CID 138319873
2-pentyl-1-phenylheptan-1-one
CID 67882345
2-[(4-fluorophenyl)carbamoyl]hexanoic acid
CID 143025847
2,4-dihydroxy-N-phenyldodecanamide
CID 91612582
2-butoxy-N-phenyldodecanamide
CID 70626065
2-bromo-N-phenylpentanamide
CID 56980184
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
1-phenyl-2-sulfanyldecan-1-one
CID 86186359
3-pentyl-N-phenylnonanamide
CID 155185761
2-methyl-N-phenylpentanamide
CID 4627801

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-phenylheptanamide?
The IUPAC name of 2-benzoyl-N-phenylheptanamide (CID 87965233) is 2-benzoyl-N-phenylheptanamide.
What is the SMILES notation for 2-benzoyl-N-phenylheptanamide?
The canonical SMILES for 2-benzoyl-N-phenylheptanamide is CCCCCC(C(=O)Nc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-N-phenylheptanamide?
The InChIKey is BERHFFVCVMEINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-2-3-6-15-18(19(22)16-11-7-4-8-12-16)20(23)21-17-13-9-5-10-14-17/h4-5,7-14,18H,2-3,6,15H2,1H3,(H,21,23).
What are the key properties of 2-benzoyl-N-phenylheptanamide?
2-benzoyl-N-phenylheptanamide has a molecular weight of 309.41 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-phenylheptanamide is sourced from PubChem (CID 87965233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).