2-fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide

C24H22FN3O — CID 11036499

IUPAC2-fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide
SMILESO=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1ccccc1F
InChIInChI=1S/C24H22FN3O/c25-21-12-6-4-10-19(21)24(29)26-15-14-18-16-27-23(17-8-2-1-3-9-17)20-11-5-7-13-22(20)28-18/h1-13,18,28H,14-16H2,(H,26,29)
InChIKeyBPDSAOLEAPWKQE-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.28
Rot. Bonds5

About 2-fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide

2-fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide (PubChem CID 11036499) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide
PubChem CID11036499
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name2-fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide
SMILESO=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1ccccc1F
InChIInChI=1S/C24H22FN3O/c25-21-12-6-4-10-19(21)24(29)26-15-14-18-16-27-23(17-8-2-1-3-9-17)20-11-5-7-13-22(20)28-18/h1-13,18,28H,14-16H2,(H,26,29)
InChIKeyBPDSAOLEAPWKQE-UHFFFAOYSA-N
XLogP4.28
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Compound E
CID 11306390
5-Phenyl-1-(piperidin-4-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 13336285
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
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
4-chloro-N-[(3S)-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]benzamide
CID 14208241
4-bromo-N-[(3S)-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]benzamide
CID 14208295
N-[5-(2-fluorophenyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-4-iodobenzamide
CID 14208296
N-[(3S)-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-4-iodobenzamide
CID 14208297
N-[5-(2-fluorophenyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-3-iodobenzamide
CID 14208303
4-Chloro-N-[5-(2-fluoro-phenyl)-1-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-ylmethyl]-benzamide
CID 20190197
3-phenyl-N-{2-[N-benzylcarbamoyl]phenyl}propanamide
CID 1277922

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide (CID 11036499) is 2-fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide is O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide?
The InChIKey is BPDSAOLEAPWKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c25-21-12-6-4-10-19(21)24(29)26-15-14-18-16-27-23(17-8-2-1-3-9-17)20-11-5-7-13-22(20)28-18/h1-13,18,28H,14-16H2,(H,26,29).
What are the key properties of 2-fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide?
2-fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide has a molecular weight of 387.46 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide is sourced from PubChem (CID 11036499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).