1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone

C17H16FNO — CID 82123612

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone
SMILESO=C(CNc1cccc(F)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H16FNO/c18-15-5-2-6-16(10-15)19-11-17(20)14-8-7-12-3-1-4-13(12)9-14/h2,5-10,19H,1,3-4,11H2
InChIKeyBCNILIGCTVLDKE-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.61
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone

1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone (PubChem CID 82123612) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone
PubChem CID82123612
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone
SMILESO=C(CNc1cccc(F)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H16FNO/c18-15-5-2-6-16(10-15)19-11-17(20)14-8-7-12-3-1-4-13(12)9-14/h2,5-10,19H,1,3-4,11H2
InChIKeyBCNILIGCTVLDKE-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone
CID 82122507
1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone
CID 82483415
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluorophenoxy)ethanone
CID 43413398
2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone
CID 102007903
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662535
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide
CID 82113869
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-fluorophenyl)acetamide
CID 2611402
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961571
1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone
CID 82102300
3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline
CID 63515935
2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115797451
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-oxobutanamide
CID 60622864

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone (CID 82123612) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone is O=C(CNc1cccc(F)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone?
The InChIKey is BCNILIGCTVLDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-15-5-2-6-16(10-15)19-11-17(20)14-8-7-12-3-1-4-13(12)9-14/h2,5-10,19H,1,3-4,11H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone?
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone has a molecular weight of 269.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone is sourced from PubChem (CID 82123612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).