N-(2-oxo-5-phenyl-1,3,5a,6-tetrahydro-1,4-benzodiazepin-3-yl)formamide

C16H15N3O2 — CID 167097322

IUPACN-(2-oxo-5-phenyl-1,3,5a,6-tetrahydro-1,4-benzodiazepin-3-yl)formamide
SMILESO=CNC1N=C(c2ccccc2)C2CC=CC=C2NC1=O
InChIInChI=1S/C16H15N3O2/c20-10-17-15-16(21)18-13-9-5-4-8-12(13)14(19-15)11-6-2-1-3-7-11/h1-7,9-10,12,15H,8H2,(H,17,20)(H,18,21)
InChIKeyUWRPOPJBZSTFOY-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.14
Rot. Bonds3

About N-(2-oxo-5-phenyl-1,3,5a,6-tetrahydro-1,4-benzodiazepin-3-yl)formamide

N-(2-oxo-5-phenyl-1,3,5a,6-tetrahydro-1,4-benzodiazepin-3-yl)formamide (PubChem CID 167097322) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(2-oxo-5-phenyl-1,3,5a,6-tetrahydro-1,4-benzodiazepin-3-yl)formamide.

Molecular Properties

Compound NameN-(2-oxo-5-phenyl-1,3,5a,6-tetrahydro-1,4-benzodiazepin-3-yl)formamide
PubChem CID167097322
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-(2-oxo-5-phenyl-1,3,5a,6-tetrahydro-1,4-benzodiazepin-3-yl)formamide
SMILESO=CNC1N=C(c2ccccc2)C2CC=CC=C2NC1=O
InChIInChI=1S/C16H15N3O2/c20-10-17-15-16(21)18-13-9-5-4-8-12(13)14(19-15)11-6-2-1-3-7-11/h1-7,9-10,12,15H,8H2,(H,17,20)(H,18,21)
InChIKeyUWRPOPJBZSTFOY-UHFFFAOYSA-N
XLogP1.14
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-5-phenyl-1,3,5a,6-tetrahydro-1,4-benzodiazepin-3-yl)formamide?
The IUPAC name of N-(2-oxo-5-phenyl-1,3,5a,6-tetrahydro-1,4-benzodiazepin-3-yl)formamide (CID 167097322) is N-(2-oxo-5-phenyl-1,3,5a,6-tetrahydro-1,4-benzodiazepin-3-yl)formamide.
What is the SMILES notation for N-(2-oxo-5-phenyl-1,3,5a,6-tetrahydro-1,4-benzodiazepin-3-yl)formamide?
The canonical SMILES for N-(2-oxo-5-phenyl-1,3,5a,6-tetrahydro-1,4-benzodiazepin-3-yl)formamide is O=CNC1N=C(c2ccccc2)C2CC=CC=C2NC1=O.
What is the InChIKey of N-(2-oxo-5-phenyl-1,3,5a,6-tetrahydro-1,4-benzodiazepin-3-yl)formamide?
The InChIKey is UWRPOPJBZSTFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-10-17-15-16(21)18-13-9-5-4-8-12(13)14(19-15)11-6-2-1-3-7-11/h1-7,9-10,12,15H,8H2,(H,17,20)(H,18,21).
What are the key properties of N-(2-oxo-5-phenyl-1,3,5a,6-tetrahydro-1,4-benzodiazepin-3-yl)formamide?
N-(2-oxo-5-phenyl-1,3,5a,6-tetrahydro-1,4-benzodiazepin-3-yl)formamide has a molecular weight of 281.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-5-phenyl-1,3,5a,6-tetrahydro-1,4-benzodiazepin-3-yl)formamide is sourced from PubChem (CID 167097322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).