(2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone

C16H15FN2O — CID 122176045

IUPAC(2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone
SMILESO=C(c1ccccc1F)N1CCNc2ccccc2C1
InChIInChI=1S/C16H15FN2O/c17-14-7-3-2-6-13(14)16(20)19-10-9-18-15-8-4-1-5-12(15)11-19/h1-8,18H,9-11H2
InChIKeyANHLYMCUUNUXPE-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.89
Rot. Bonds1

About (2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone

(2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone (PubChem CID 122176045) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone
PubChem CID122176045
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone
SMILESO=C(c1ccccc1F)N1CCNc2ccccc2C1
InChIInChI=1S/C16H15FN2O/c17-14-7-3-2-6-13(14)16(20)19-10-9-18-15-8-4-1-5-12(15)11-19/h1-8,18H,9-11H2
InChIKeyANHLYMCUUNUXPE-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
[3-(dimethylamino)phenyl]-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone
CID 122176041
4-(3-fluoro-2-methylbenzoyl)piperazin-2-one
CID 121419784
(4-bromo-1,3-dihydroisoindol-2-yl)-(2-fluorophenyl)methanone
CID 172876011
(2-fluorophenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82243413
1,3-dihydroisoindol-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62850424
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
4-(2-fluorobenzoyl)piperazine-1-carbohydrazide
CID 82304393
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
(2-fluorophenyl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110644446
7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one
CID 176501214

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone (CID 122176045) is (2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone is O=C(c1ccccc1F)N1CCNc2ccccc2C1.
What is the InChIKey of (2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone?
The InChIKey is ANHLYMCUUNUXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-14-7-3-2-6-13(14)16(20)19-10-9-18-15-8-4-1-5-12(15)11-19/h1-8,18H,9-11H2.
What are the key properties of (2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone?
(2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone has a molecular weight of 270.31 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone is sourced from PubChem (CID 122176045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).