N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide

C23H19N3O2 — CID 10499323

IUPACN-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide
SMILESCN1C(=O)[C@H](NC(=O)c2ccccc2)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C23H19N3O2/c1-26-19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)24-21(23(26)28)25-22(27)17-12-6-3-7-13-17/h2-15,21H,1H3,(H,25,27)/t21-/m0/s1
InChIKeyGHCMJXXHXYFGPV-NRFANRHFSA-N
MW369.42 g/mol
LogP3.26
Rot. Bonds3

About N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide

N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide (PubChem CID 10499323) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide
PubChem CID10499323
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide
SMILESCN1C(=O)[C@H](NC(=O)c2ccccc2)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C23H19N3O2/c1-26-19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)24-21(23(26)28)25-22(27)17-12-6-3-7-13-17/h2-15,21H,1H3,(H,25,27)/t21-/m0/s1
InChIKeyGHCMJXXHXYFGPV-NRFANRHFSA-N
XLogP3.26
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide?
The IUPAC name of N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide (CID 10499323) is N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide.
What is the SMILES notation for N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide?
The canonical SMILES for N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide is CN1C(=O)[C@H](NC(=O)c2ccccc2)N=C(c2ccccc2)c2ccccc21.
What is the InChIKey of N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide?
The InChIKey is GHCMJXXHXYFGPV-NRFANRHFSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-26-19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)24-21(23(26)28)25-22(27)17-12-6-3-7-13-17/h2-15,21H,1H3,(H,25,27)/t21-/m0/s1.
What are the key properties of N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide?
N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide has a molecular weight of 369.42 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide is sourced from PubChem (CID 10499323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).