6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide

C15H14N2O — CID 91028665

IUPAC6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide
SMILESNC(=O)c1ccc2c(c1)Nc1ccccc1CC2
InChIInChI=1S/C15H14N2O/c16-15(18)12-8-7-11-6-5-10-3-1-2-4-13(10)17-14(11)9-12/h1-4,7-9,17H,5-6H2,(H2,16,18)
InChIKeyHQKNSHLBCXYLPN-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.63
Rot. Bonds1

About 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide

6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide (PubChem CID 91028665) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide.

Molecular Properties

Compound Name6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide
PubChem CID91028665
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide
SMILESNC(=O)c1ccc2c(c1)Nc1ccccc1CC2
InChIInChI=1S/C15H14N2O/c16-15(18)12-8-7-11-6-5-10-3-1-2-4-13(10)17-14(11)9-12/h1-4,7-9,17H,5-6H2,(H2,16,18)
InChIKeyHQKNSHLBCXYLPN-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboximidamide
CID 86056242
3-(1,2,3,4-tetrahydroquinolin-2-yl)benzamide
CID 164550217
1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one
CID 154158729
10H-phenothiazine-3-carboxamide
CID 153418714
2-sulfanylidene-3,4-dihydro-1H-quinazoline-7-carboxamide
CID 90749748
6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine
CID 23876509
3-(2-oxo-1,3-dihydroindole-6-carbonyl)benzamide
CID 68701510
9H-fluorene-2-carboxamide;hydrochloride
CID 21224790
benzamide;1,2,3,4-tetrahydroquinoline
CID 68819505
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone
CID 135039301
spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-carboxamide
CID 175851005

Frequently Asked Questions

What is the IUPAC name of 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide?
The IUPAC name of 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide (CID 91028665) is 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide.
What is the SMILES notation for 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide?
The canonical SMILES for 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide is NC(=O)c1ccc2c(c1)Nc1ccccc1CC2.
What is the InChIKey of 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide?
The InChIKey is HQKNSHLBCXYLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-15(18)12-8-7-11-6-5-10-3-1-2-4-13(10)17-14(11)9-12/h1-4,7-9,17H,5-6H2,(H2,16,18).
What are the key properties of 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide?
6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide is sourced from PubChem (CID 91028665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).