N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C18H18N2O2 — CID 69369112

IUPACN-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(NC(=O)N1CCCCc2ccccc21)c1ccccc1
InChIInChI=1S/C18H18N2O2/c21-17(15-10-2-1-3-11-15)19-18(22)20-13-7-6-9-14-8-4-5-12-16(14)20/h1-5,8,10-12H,6-7,9,13H2,(H,19,21,22)
InChIKeyGXQUIRSCPLLOHT-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.38
Rot. Bonds1

About N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 69369112) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID69369112
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(NC(=O)N1CCCCc2ccccc21)c1ccccc1
InChIInChI=1S/C18H18N2O2/c21-17(15-10-2-1-3-11-15)19-18(22)20-13-7-6-9-14-8-4-5-12-16(14)20/h1-5,8,10-12H,6-7,9,13H2,(H,19,21,22)
InChIKeyGXQUIRSCPLLOHT-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide
CID 23992308
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349
N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
CID 69223923
N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223772
(2R)-3-hydroxy-2-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)propanoic acid
CID 80757153
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485
N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224185
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 47714484
N-(1-phenylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 59710019
(2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid
CID 107840294

Frequently Asked Questions

What is the IUPAC name of N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 69369112) is N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is O=C(NC(=O)N1CCCCc2ccccc21)c1ccccc1.
What is the InChIKey of N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is GXQUIRSCPLLOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-17(15-10-2-1-3-11-15)19-18(22)20-13-7-6-9-14-8-4-5-12-16(14)20/h1-5,8,10-12H,6-7,9,13H2,(H,19,21,22).
What are the key properties of N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 69369112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).