5-methyl-6-oxo-7H-benzo[d][1]benzazepine-1-carboxamide

C16H14N2O2 — CID 173108366

IUPAC5-methyl-6-oxo-7H-benzo[d][1]benzazepine-1-carboxamide
SMILESCN1C(=O)Cc2ccccc2-c2c(C(N)=O)cccc21
InChIInChI=1S/C16H14N2O2/c1-18-13-8-4-7-12(16(17)20)15(13)11-6-3-2-5-10(11)9-14(18)19/h2-8H,9H2,1H3,(H2,17,20)
InChIKeyKCBAHNRTTXCXKR-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.97
Rot. Bonds1

About 5-methyl-6-oxo-7H-benzo[d][1]benzazepine-1-carboxamide

5-methyl-6-oxo-7H-benzo[d][1]benzazepine-1-carboxamide (PubChem CID 173108366) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-methyl-6-oxo-7H-benzo[d][1]benzazepine-1-carboxamide.

Molecular Properties

Compound Name5-methyl-6-oxo-7H-benzo[d][1]benzazepine-1-carboxamide
PubChem CID173108366
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-methyl-6-oxo-7H-benzo[d][1]benzazepine-1-carboxamide
SMILESCN1C(=O)Cc2ccccc2-c2c(C(N)=O)cccc21
InChIInChI=1S/C16H14N2O2/c1-18-13-8-4-7-12(16(17)20)15(13)11-6-3-2-5-10(11)9-14(18)19/h2-8H,9H2,1H3,(H2,17,20)
InChIKeyKCBAHNRTTXCXKR-UHFFFAOYSA-N
XLogP1.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-oxo-7H-benzo[d][1]benzazepine-1-carboxamide?
The IUPAC name of 5-methyl-6-oxo-7H-benzo[d][1]benzazepine-1-carboxamide (CID 173108366) is 5-methyl-6-oxo-7H-benzo[d][1]benzazepine-1-carboxamide.
What is the SMILES notation for 5-methyl-6-oxo-7H-benzo[d][1]benzazepine-1-carboxamide?
The canonical SMILES for 5-methyl-6-oxo-7H-benzo[d][1]benzazepine-1-carboxamide is CN1C(=O)Cc2ccccc2-c2c(C(N)=O)cccc21.
What is the InChIKey of 5-methyl-6-oxo-7H-benzo[d][1]benzazepine-1-carboxamide?
The InChIKey is KCBAHNRTTXCXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-18-13-8-4-7-12(16(17)20)15(13)11-6-3-2-5-10(11)9-14(18)19/h2-8H,9H2,1H3,(H2,17,20).
What are the key properties of 5-methyl-6-oxo-7H-benzo[d][1]benzazepine-1-carboxamide?
5-methyl-6-oxo-7H-benzo[d][1]benzazepine-1-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-oxo-7H-benzo[d][1]benzazepine-1-carboxamide is sourced from PubChem (CID 173108366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).