4-fluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide

C22H16FN3O2 — CID 14208258

IUPAC4-fluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
SMILESO=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O2/c23-16-12-10-15(11-13-16)21(27)26-20-22(28)24-18-9-5-4-8-17(18)19(25-20)14-6-2-1-3-7-14/h1-13,20H,(H,24,28)(H,26,27)
InChIKeyVBUOLEIWYQSODK-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.37
Rot. Bonds3

About 4-fluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide

4-fluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide (PubChem CID 14208258) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is 4-fluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
PubChem CID14208258
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Name4-fluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
SMILESO=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O2/c23-16-12-10-15(11-13-16)21(27)26-20-22(28)24-18-9-5-4-8-17(18)19(25-20)14-6-2-1-3-7-14/h1-13,20H,(H,24,28)(H,26,27)
InChIKeyVBUOLEIWYQSODK-UHFFFAOYSA-N
XLogP3.37
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

YM 022
CID 122130
L 365260
CID 5311201
1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea
CID 5279172
Bms 906024
CID 66550890
L 768673
CID 9851380
Compound E
CID 11306390
2-(((3,5-difluorophenyl)acetyl)amino)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)propanamide
CID 22312320
CID 104929
CID 104929
L 365031
CID 196641
1-(3-methylphenyl)-3-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
CID 3452843
4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-yl)-ethyl]-benzamide
CID 10408752
2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-yl)-ethyl]-benzamide
CID 11795327

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide (CID 14208258) is 4-fluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide is O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The InChIKey is VBUOLEIWYQSODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c23-16-12-10-15(11-13-16)21(27)26-20-22(28)24-18-9-5-4-8-17(18)19(25-20)14-6-2-1-3-7-14/h1-13,20H,(H,24,28)(H,26,27).
What are the key properties of 4-fluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
4-fluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide has a molecular weight of 373.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide is sourced from PubChem (CID 14208258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).