3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzamide

C17H17N3O2 — CID 121277948

IUPAC3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzamide
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3cccc(C(N)=O)c3)c2N1
InChIInChI=1S/C17H17N3O2/c1-10-8-15(21)20-14-7-3-6-13(16(14)19-10)11-4-2-5-12(9-11)17(18)22/h2-7,9-10,19H,8H2,1H3,(H2,18,22)(H,20,21)/t10-/m1/s1
InChIKeyGPSIJYIIIKVHNT-SNVBAGLBSA-N
MW295.34 g/mol
LogP2.60
Rot. Bonds2

About 3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzamide

3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzamide (PubChem CID 121277948) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzamide.

Molecular Properties

Compound Name3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzamide
PubChem CID121277948
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzamide
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3cccc(C(N)=O)c3)c2N1
InChIInChI=1S/C17H17N3O2/c1-10-8-15(21)20-14-7-3-6-13(16(14)19-10)11-4-2-5-12(9-11)17(18)22/h2-7,9-10,19H,8H2,1H3,(H2,18,22)(H,20,21)/t10-/m1/s1
InChIKeyGPSIJYIIIKVHNT-SNVBAGLBSA-N
XLogP2.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzamide?
The IUPAC name of 3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzamide (CID 121277948) is 3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzamide.
What is the SMILES notation for 3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzamide?
The canonical SMILES for 3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzamide is C[C@@H]1CC(=O)Nc2cccc(-c3cccc(C(N)=O)c3)c2N1.
What is the InChIKey of 3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzamide?
The InChIKey is GPSIJYIIIKVHNT-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-10-8-15(21)20-14-7-3-6-13(16(14)19-10)11-4-2-5-12(9-11)17(18)22/h2-7,9-10,19H,8H2,1H3,(H2,18,22)(H,20,21)/t10-/m1/s1.
What are the key properties of 3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzamide?
3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzamide has a molecular weight of 295.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzamide is sourced from PubChem (CID 121277948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).