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

C23H18FN3O2 — CID 14208249

IUPACN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2N=C(c3ccccc3F)c3ccccc3NC2=O)cc1
InChIInChI=1S/C23H18FN3O2/c1-14-10-12-15(13-11-14)22(28)27-21-23(29)25-19-9-5-3-7-17(19)20(26-21)16-6-2-4-8-18(16)24/h2-13,21H,1H3,(H,25,29)(H,27,28)
InChIKeyPNDAFURARLGVMS-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.68
Rot. Bonds3

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

N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methylbenzamide (PubChem CID 14208249) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methylbenzamide
PubChem CID14208249
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC NameN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2N=C(c3ccccc3F)c3ccccc3NC2=O)cc1
InChIInChI=1S/C23H18FN3O2/c1-14-10-12-15(13-11-14)22(28)27-21-23(29)25-19-9-5-3-7-17(19)20(26-21)16-6-2-4-8-18(16)24/h2-13,21H,1H3,(H,25,29)(H,27,28)
InChIKeyPNDAFURARLGVMS-UHFFFAOYSA-N
XLogP3.68
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.68
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]-4-methylbenzamide?
The IUPAC name of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methylbenzamide (CID 14208249) is N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2N=C(c3ccccc3F)c3ccccc3NC2=O)cc1.
What is the InChIKey of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methylbenzamide?
The InChIKey is PNDAFURARLGVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-14-10-12-15(13-11-14)22(28)27-21-23(29)25-19-9-5-3-7-17(19)20(26-21)16-6-2-4-8-18(16)24/h2-13,21H,1H3,(H,25,29)(H,27,28).
What are the key properties of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methylbenzamide?
N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methylbenzamide has a molecular weight of 387.41 g/mol, XLogP of 3.68, 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]-4-methylbenzamide is sourced from PubChem (CID 14208249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).