2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid

C15H16FNO3 — CID 120975454

IUPAC2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NC1CCc2c(F)cccc21
InChIInChI=1S/C15H16FNO3/c16-12-3-1-2-9-8(12)6-7-13(9)17-14(18)10-4-5-11(10)15(19)20/h1-3,10-11,13H,4-7H2,(H,17,18)(H,19,20)
InChIKeyMKLHVLKJXBMHKR-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.04
Rot. Bonds3

About 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid

2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975454) has the molecular formula C15H16FNO3 and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975454
Molecular FormulaC15H16FNO3
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NC1CCc2c(F)cccc21
InChIInChI=1S/C15H16FNO3/c16-12-3-1-2-9-8(12)6-7-13(9)17-14(18)10-4-5-11(10)15(19)20/h1-3,10-11,13H,4-7H2,(H,17,18)(H,19,20)
InChIKeyMKLHVLKJXBMHKR-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974624
3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide
CID 166285451
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 119302147
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea
CID 86838302
(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110904109
4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 83065262
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridine-2-carboxamide
CID 47380307
4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 86833181
N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 94198155
2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 95934372
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111505240

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid (CID 120975454) is 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NC1CCc2c(F)cccc21.
What is the InChIKey of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is MKLHVLKJXBMHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c16-12-3-1-2-9-8(12)6-7-13(9)17-14(18)10-4-5-11(10)15(19)20/h1-3,10-11,13H,4-7H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid?
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 277.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).