N-benzoylazepane-1-carboxamide

C14H18N2O2 — CID 701197

IUPACN-benzoylazepane-1-carboxamide
SMILESO=C(NC(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C14H18N2O2/c17-13(12-8-4-3-5-9-12)15-14(18)16-10-6-1-2-7-11-16/h3-5,8-9H,1-2,6-7,10-11H2,(H,15,17,18)
InChIKeyRCXGHWBISQQKPP-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.41
Rot. Bonds1

About N-benzoylazepane-1-carboxamide

N-benzoylazepane-1-carboxamide (PubChem CID 701197) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-benzoylazepane-1-carboxamide.

Molecular Properties

Compound NameN-benzoylazepane-1-carboxamide
PubChem CID701197
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-benzoylazepane-1-carboxamide
SMILESO=C(NC(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C14H18N2O2/c17-13(12-8-4-3-5-9-12)15-14(18)16-10-6-1-2-7-11-16/h3-5,8-9H,1-2,6-7,10-11H2,(H,15,17,18)
InChIKeyRCXGHWBISQQKPP-UHFFFAOYSA-N
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzoylazepane-1-carboxamide?
The IUPAC name of N-benzoylazepane-1-carboxamide (CID 701197) is N-benzoylazepane-1-carboxamide.
What is the SMILES notation for N-benzoylazepane-1-carboxamide?
The canonical SMILES for N-benzoylazepane-1-carboxamide is O=C(NC(=O)N1CCCCCC1)c1ccccc1.
What is the InChIKey of N-benzoylazepane-1-carboxamide?
The InChIKey is RCXGHWBISQQKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-13(12-8-4-3-5-9-12)15-14(18)16-10-6-1-2-7-11-16/h3-5,8-9H,1-2,6-7,10-11H2,(H,15,17,18).
What are the key properties of N-benzoylazepane-1-carboxamide?
N-benzoylazepane-1-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoylazepane-1-carboxamide is sourced from PubChem (CID 701197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).