(5-fluoro-2,3-dihydro-1H-inden-1-yl) 5-carbamoyl-2-fluorobenzoate

C17H13F2NO3 — CID 167790119

IUPAC(5-fluoro-2,3-dihydro-1H-inden-1-yl) 5-carbamoyl-2-fluorobenzoate
SMILESNC(=O)c1ccc(F)c(C(=O)OC2CCc3cc(F)ccc32)c1
InChIInChI=1S/C17H13F2NO3/c18-11-3-4-12-9(7-11)2-6-15(12)23-17(22)13-8-10(16(20)21)1-5-14(13)19/h1,3-5,7-8,15H,2,6H2,(H2,20,21)
InChIKeyVLTPFFZNZJFSPV-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.91
Rot. Bonds3

About (5-fluoro-2,3-dihydro-1H-inden-1-yl) 5-carbamoyl-2-fluorobenzoate

(5-fluoro-2,3-dihydro-1H-inden-1-yl) 5-carbamoyl-2-fluorobenzoate (PubChem CID 167790119) has the molecular formula C17H13F2NO3 and a molecular weight of 317.29 g/mol. Its IUPAC name is (5-fluoro-2,3-dihydro-1H-inden-1-yl) 5-carbamoyl-2-fluorobenzoate.

Molecular Properties

Compound Name(5-fluoro-2,3-dihydro-1H-inden-1-yl) 5-carbamoyl-2-fluorobenzoate
PubChem CID167790119
Molecular FormulaC17H13F2NO3
Molecular Weight317.29 g/mol
Exact Mass317.09
IUPAC Name(5-fluoro-2,3-dihydro-1H-inden-1-yl) 5-carbamoyl-2-fluorobenzoate
SMILESNC(=O)c1ccc(F)c(C(=O)OC2CCc3cc(F)ccc32)c1
InChIInChI=1S/C17H13F2NO3/c18-11-3-4-12-9(7-11)2-6-15(12)23-17(22)13-8-10(16(20)21)1-5-14(13)19/h1,3-5,7-8,15H,2,6H2,(H2,20,21)
InChIKeyVLTPFFZNZJFSPV-UHFFFAOYSA-N
XLogP2.91
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide
CID 116530881
[5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate
CID 175296693
[6-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568957
1-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 70321993
(5-acetyl-2,3-dihydro-1H-inden-1-yl) acetate
CID 66584298
1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-4-fluorobenzoate
CID 61279911
[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl] 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 97233090
1,2,3,4-tetrahydronaphthalen-1-yl 2-amino-3-fluorobenzoate
CID 81498717
5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 16666328
methyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 115033822
3-N-[1-(2,3-dihydro-1H-inden-1-yl)prop-2-ynyl]-4-fluorobenzene-1,3-dicarboxamide
CID 166367696
(1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 51600890

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,3-dihydro-1H-inden-1-yl) 5-carbamoyl-2-fluorobenzoate?
The IUPAC name of (5-fluoro-2,3-dihydro-1H-inden-1-yl) 5-carbamoyl-2-fluorobenzoate (CID 167790119) is (5-fluoro-2,3-dihydro-1H-inden-1-yl) 5-carbamoyl-2-fluorobenzoate.
What is the SMILES notation for (5-fluoro-2,3-dihydro-1H-inden-1-yl) 5-carbamoyl-2-fluorobenzoate?
The canonical SMILES for (5-fluoro-2,3-dihydro-1H-inden-1-yl) 5-carbamoyl-2-fluorobenzoate is NC(=O)c1ccc(F)c(C(=O)OC2CCc3cc(F)ccc32)c1.
What is the InChIKey of (5-fluoro-2,3-dihydro-1H-inden-1-yl) 5-carbamoyl-2-fluorobenzoate?
The InChIKey is VLTPFFZNZJFSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO3/c18-11-3-4-12-9(7-11)2-6-15(12)23-17(22)13-8-10(16(20)21)1-5-14(13)19/h1,3-5,7-8,15H,2,6H2,(H2,20,21).
What are the key properties of (5-fluoro-2,3-dihydro-1H-inden-1-yl) 5-carbamoyl-2-fluorobenzoate?
(5-fluoro-2,3-dihydro-1H-inden-1-yl) 5-carbamoyl-2-fluorobenzoate has a molecular weight of 317.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,3-dihydro-1H-inden-1-yl) 5-carbamoyl-2-fluorobenzoate is sourced from PubChem (CID 167790119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).