N-carbamoyl-1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide

C16H13N3O3 — CID 162641100

IUPACN-carbamoyl-1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])CC(=O)c1ccccc1N2C(=O)NC(N)=O
InChIInChI=1S/C16H13N3O3/c17-15(21)18-16(22)19-12-7-3-1-5-10(12)9-14(20)11-6-2-4-8-13(11)19/h1-8H,9H2,(H3,17,18,21,22)/i1D,3D,5D,7D
InChIKeyKWTBDJPWNWQCBF-DNZPNURCSA-N
MW299.32 g/mol
LogP2.35
Rot. Bonds

About N-carbamoyl-1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide

N-carbamoyl-1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide (PubChem CID 162641100) has the molecular formula C16H13N3O3 and a molecular weight of 299.32 g/mol. Its IUPAC name is N-carbamoyl-1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound NameN-carbamoyl-1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide
PubChem CID162641100
Molecular FormulaC16H13N3O3
Molecular Weight299.32 g/mol
Exact Mass299.12
IUPAC NameN-carbamoyl-1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])CC(=O)c1ccccc1N2C(=O)NC(N)=O
InChIInChI=1S/C16H13N3O3/c17-15(21)18-16(22)19-12-7-3-1-5-10(12)9-14(20)11-6-2-4-8-13(11)19/h1-8H,9H2,(H3,17,18,21,22)/i1D,3D,5D,7D
InChIKeyKWTBDJPWNWQCBF-DNZPNURCSA-N
XLogP2.35
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide?
The IUPAC name of N-carbamoyl-1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide (CID 162641100) is N-carbamoyl-1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide.
What is the SMILES notation for N-carbamoyl-1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide?
The canonical SMILES for N-carbamoyl-1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide is [2H]c1c([2H])c([2H])c2c(c1[2H])CC(=O)c1ccccc1N2C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide?
The InChIKey is KWTBDJPWNWQCBF-DNZPNURCSA-N. The full InChI is InChI=1S/C16H13N3O3/c17-15(21)18-16(22)19-12-7-3-1-5-10(12)9-14(20)11-6-2-4-8-13(11)19/h1-8H,9H2,(H3,17,18,21,22)/i1D,3D,5D,7D.
What are the key properties of N-carbamoyl-1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide?
N-carbamoyl-1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide has a molecular weight of 299.32 g/mol, XLogP of 2.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 162641100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).