4-bromo-N-[(3R)-7,8-dimethyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]benzamide

C18H16BrN3O2 — CID 124631940

IUPAC4-bromo-N-[(3R)-7,8-dimethyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]benzamide
SMILESCc1cc2c(cc1C)NC(=O)[C@H](NC(=O)c1ccc(Br)cc1)C=N2
InChIInChI=1S/C18H16BrN3O2/c1-10-7-14-15(8-11(10)2)21-18(24)16(9-20-14)22-17(23)12-3-5-13(19)6-4-12/h3-9,16H,1-2H3,(H,21,24)(H,22,23)/t16-/m1/s1
InChIKeyUJZPJECEUDVLMB-MRXNPFEDSA-N
MW386.25 g/mol
LogP3.52
Rot. Bonds2

About 4-bromo-N-[(3R)-7,8-dimethyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]benzamide

4-bromo-N-[(3R)-7,8-dimethyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]benzamide (PubChem CID 124631940) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 4-bromo-N-[(3R)-7,8-dimethyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(3R)-7,8-dimethyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]benzamide
PubChem CID124631940
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name4-bromo-N-[(3R)-7,8-dimethyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]benzamide
SMILESCc1cc2c(cc1C)NC(=O)[C@H](NC(=O)c1ccc(Br)cc1)C=N2
InChIInChI=1S/C18H16BrN3O2/c1-10-7-14-15(8-11(10)2)21-18(24)16(9-20-14)22-17(23)12-3-5-13(19)6-4-12/h3-9,16H,1-2H3,(H,21,24)(H,22,23)/t16-/m1/s1
InChIKeyUJZPJECEUDVLMB-MRXNPFEDSA-N
XLogP3.52
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[(3R)-7,8-dimethyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3R)-7,8-dimethyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]benzamide?
The IUPAC name of 4-bromo-N-[(3R)-7,8-dimethyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]benzamide (CID 124631940) is 4-bromo-N-[(3R)-7,8-dimethyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[(3R)-7,8-dimethyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]benzamide?
The canonical SMILES for 4-bromo-N-[(3R)-7,8-dimethyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]benzamide is Cc1cc2c(cc1C)NC(=O)[C@H](NC(=O)c1ccc(Br)cc1)C=N2.
What is the InChIKey of 4-bromo-N-[(3R)-7,8-dimethyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]benzamide?
The InChIKey is UJZPJECEUDVLMB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-10-7-14-15(8-11(10)2)21-18(24)16(9-20-14)22-17(23)12-3-5-13(19)6-4-12/h3-9,16H,1-2H3,(H,21,24)(H,22,23)/t16-/m1/s1.
What are the key properties of 4-bromo-N-[(3R)-7,8-dimethyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]benzamide?
4-bromo-N-[(3R)-7,8-dimethyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]benzamide has a molecular weight of 386.25 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3R)-7,8-dimethyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]benzamide is sourced from PubChem (CID 124631940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).