6-(5-fluoro-2-methoxyphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

C16H15FN2O2 — CID 145058135

IUPAC6-(5-fluoro-2-methoxyphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESCOc1ccc(F)cc1-c1cccc2c1NCCC(=O)N2
InChIInChI=1S/C16H15FN2O2/c1-21-14-6-5-10(17)9-12(14)11-3-2-4-13-16(11)18-8-7-15(20)19-13/h2-6,9,18H,7-8H2,1H3,(H,19,20)
InChIKeyRBTABCUGWGZYQZ-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.26
Rot. Bonds2

About 6-(5-fluoro-2-methoxyphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

6-(5-fluoro-2-methoxyphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 145058135) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 6-(5-fluoro-2-methoxyphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name6-(5-fluoro-2-methoxyphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
PubChem CID145058135
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name6-(5-fluoro-2-methoxyphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESCOc1ccc(F)cc1-c1cccc2c1NCCC(=O)N2
InChIInChI=1S/C16H15FN2O2/c1-21-14-6-5-10(17)9-12(14)11-3-2-4-13-16(11)18-8-7-15(20)19-13/h2-6,9,18H,7-8H2,1H3,(H,19,20)
InChIKeyRBTABCUGWGZYQZ-UHFFFAOYSA-N
XLogP3.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-methoxyphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The IUPAC name of 6-(5-fluoro-2-methoxyphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 145058135) is 6-(5-fluoro-2-methoxyphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 6-(5-fluoro-2-methoxyphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 6-(5-fluoro-2-methoxyphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is COc1ccc(F)cc1-c1cccc2c1NCCC(=O)N2.
What is the InChIKey of 6-(5-fluoro-2-methoxyphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The InChIKey is RBTABCUGWGZYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-21-14-6-5-10(17)9-12(14)11-3-2-4-13-16(11)18-8-7-15(20)19-13/h2-6,9,18H,7-8H2,1H3,(H,19,20).
What are the key properties of 6-(5-fluoro-2-methoxyphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
6-(5-fluoro-2-methoxyphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 286.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-methoxyphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 145058135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).