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

C23H18FN3O3 — CID 11524210

IUPACN-[5-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1N=C(c2ccc(F)cc2)c2ccccc2NC1=O
InChIInChI=1S/C23H18FN3O3/c1-30-19-9-5-3-7-17(19)22(28)27-21-23(29)25-18-8-4-2-6-16(18)20(26-21)14-10-12-15(24)13-11-14/h2-13,21H,1H3,(H,25,29)(H,27,28)
InChIKeyJBALFTQSISYQAM-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.38
Rot. Bonds4

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

N-[5-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide (PubChem CID 11524210) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide
PubChem CID11524210
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC NameN-[5-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1N=C(c2ccc(F)cc2)c2ccccc2NC1=O
InChIInChI=1S/C23H18FN3O3/c1-30-19-9-5-3-7-17(19)22(28)27-21-23(29)25-18-8-4-2-6-16(18)20(26-21)14-10-12-15(24)13-11-14/h2-13,21H,1H3,(H,25,29)(H,27,28)
InChIKeyJBALFTQSISYQAM-UHFFFAOYSA-N
XLogP3.38
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[5-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide (CID 11524210) is N-[5-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC1N=C(c2ccc(F)cc2)c2ccccc2NC1=O.
What is the InChIKey of N-[5-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide?
The InChIKey is JBALFTQSISYQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-30-19-9-5-3-7-17(19)22(28)27-21-23(29)25-18-8-4-2-6-16(18)20(26-21)14-10-12-15(24)13-11-14/h2-13,21H,1H3,(H,25,29)(H,27,28).
What are the key properties of N-[5-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide?
N-[5-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide has a molecular weight of 403.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 11524210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).