4-benzoyl-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C20H15FN2O2S — CID 23796054

IUPAC4-benzoyl-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESO=C1CN(C(=O)c2ccccc2)C(c2cccs2)c2cc(F)ccc2N1
InChIInChI=1S/C20H15FN2O2S/c21-14-8-9-16-15(11-14)19(17-7-4-10-26-17)23(12-18(24)22-16)20(25)13-5-2-1-3-6-13/h1-11,19H,12H2,(H,22,24)
InChIKeyGJYNQUYCTPTLOS-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.07
Rot. Bonds2

About 4-benzoyl-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

4-benzoyl-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 23796054) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-benzoyl-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name4-benzoyl-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID23796054
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC Name4-benzoyl-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESO=C1CN(C(=O)c2ccccc2)C(c2cccs2)c2cc(F)ccc2N1
InChIInChI=1S/C20H15FN2O2S/c21-14-8-9-16-15(11-14)19(17-7-4-10-26-17)23(12-18(24)22-16)20(25)13-5-2-1-3-6-13/h1-11,19H,12H2,(H,22,24)
InChIKeyGJYNQUYCTPTLOS-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 4-benzoyl-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 23796054) is 4-benzoyl-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 4-benzoyl-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 4-benzoyl-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is O=C1CN(C(=O)c2ccccc2)C(c2cccs2)c2cc(F)ccc2N1.
What is the InChIKey of 4-benzoyl-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is GJYNQUYCTPTLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c21-14-8-9-16-15(11-14)19(17-7-4-10-26-17)23(12-18(24)22-16)20(25)13-5-2-1-3-6-13/h1-11,19H,12H2,(H,22,24).
What are the key properties of 4-benzoyl-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
4-benzoyl-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 366.42 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 23796054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).