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

C22H17FN4O2 — CID 142743863

IUPAC4-fluoro-N'-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzohydrazide
SMILESO=C(NNC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(F)cc1
InChIInChI=1S/C22H17FN4O2/c23-16-12-10-15(11-13-16)21(28)27-26-20-22(29)24-18-9-5-4-8-17(18)19(25-20)14-6-2-1-3-7-14/h1-13,20,26H,(H,24,29)(H,27,28)
InChIKeyMGFKAYMCUNBDSO-UHFFFAOYSA-N
MW388.40 g/mol
LogP2.88
Rot. Bonds4

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

4-fluoro-N'-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzohydrazide (PubChem CID 142743863) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 4-fluoro-N'-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzohydrazide
PubChem CID142743863
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name4-fluoro-N'-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzohydrazide
SMILESO=C(NNC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(F)cc1
InChIInChI=1S/C22H17FN4O2/c23-16-12-10-15(11-13-16)21(28)27-26-20-22(29)24-18-9-5-4-8-17(18)19(25-20)14-6-2-1-3-7-14/h1-13,20,26H,(H,24,29)(H,27,28)
InChIKeyMGFKAYMCUNBDSO-UHFFFAOYSA-N
XLogP2.88
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[(1E,3Z)-1,4-diamino-4-(4-fluorophenyl)buta-1,3-dienyl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;ethane
CID 142553162
3,4-dichloro-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
CID 67868995
2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
CID 5279184
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1,2-oxazole-5-carboxamide
CID 10043226
N-[5-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide
CID 11524210
benzyl N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate;hydrate
CID 22354565
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)naphthalene-1-carboxamide
CID 14208215
(3R)-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461408
2-amino-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2-phenylacetamide
CID 66755771
5-(4-fluorophenyl)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 69455524
2-[2,4-bis(trifluoromethyl)phenyl]-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetamide
CID 142044329
6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid;N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
CID 66755497

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzohydrazide?
The IUPAC name of 4-fluoro-N'-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzohydrazide (CID 142743863) is 4-fluoro-N'-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzohydrazide?
The canonical SMILES for 4-fluoro-N'-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzohydrazide is O=C(NNC1N=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)benzohydrazide?
The InChIKey is MGFKAYMCUNBDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-16-12-10-15(11-13-16)21(28)27-26-20-22(29)24-18-9-5-4-8-17(18)19(25-20)14-6-2-1-3-7-14/h1-13,20,26H,(H,24,29)(H,27,28).
What are the key properties of 4-fluoro-N'-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzohydrazide?
4-fluoro-N'-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzohydrazide has a molecular weight of 388.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 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)benzohydrazide is sourced from PubChem (CID 142743863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).