N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide

C22H16FN3O2 — CID 10156187

IUPACN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
SMILESO=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccccc1
InChIInChI=1S/C22H16FN3O2/c23-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)24-22(28)20(25-19)26-21(27)14-8-2-1-3-9-14/h1-13,20H,(H,24,28)(H,26,27)
InChIKeyPMILGTMYQZBIKM-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.37
Rot. Bonds3

About N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide

N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide (PubChem CID 10156187) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
PubChem CID10156187
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC NameN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
SMILESO=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccccc1
InChIInChI=1S/C22H16FN3O2/c23-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)24-22(28)20(25-19)26-21(27)14-8-2-1-3-9-14/h1-13,20H,(H,24,28)(H,26,27)
InChIKeyPMILGTMYQZBIKM-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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
The IUPAC name of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide (CID 10156187) is N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide is O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccccc1.
What is the InChIKey of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
The InChIKey is PMILGTMYQZBIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c23-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)24-22(28)20(25-19)26-21(27)14-8-2-1-3-9-14/h1-13,20H,(H,24,28)(H,26,27).
What are the key properties of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
N-[5-(2-fluorophenyl)-2-oxo-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 N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide is sourced from PubChem (CID 10156187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).