N-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide

C19H25FN2O2 — CID 95771818

IUPACN-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESC[C@H](CC(=O)N[C@H]1CCc2c(F)cccc21)NC(=O)C1CCCC1
InChIInChI=1S/C19H25FN2O2/c1-12(21-19(24)13-5-2-3-6-13)11-18(23)22-17-10-9-14-15(17)7-4-8-16(14)20/h4,7-8,12-13,17H,2-3,5-6,9-11H2,1H3,(H,21,24)(H,22,23)/t12-,17+/m1/s1
InChIKeyLGSZEHVKAPEZDG-PXAZEXFGSA-N
MW332.42 g/mol
LogP3.01
Rot. Bonds5

About N-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide

N-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 95771818) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID95771818
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC NameN-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESC[C@H](CC(=O)N[C@H]1CCc2c(F)cccc21)NC(=O)C1CCCC1
InChIInChI=1S/C19H25FN2O2/c1-12(21-19(24)13-5-2-3-6-13)11-18(23)22-17-10-9-14-15(17)7-4-8-16(14)20/h4,7-8,12-13,17H,2-3,5-6,9-11H2,1H3,(H,21,24)(H,22,23)/t12-,17+/m1/s1
InChIKeyLGSZEHVKAPEZDG-PXAZEXFGSA-N
XLogP3.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(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-methylcyclohexyl)urea
CID 86838302
(2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide
CID 96538056
4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 86833181
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-fluoro-4-hydroxyphenyl)acetamide
CID 171674177
3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide
CID 166285451
N-[(2S)-1-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 94728342
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975454
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 119302147
N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065507
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 81327848

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide (CID 95771818) is N-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide is C[C@H](CC(=O)N[C@H]1CCc2c(F)cccc21)NC(=O)C1CCCC1.
What is the InChIKey of N-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is LGSZEHVKAPEZDG-PXAZEXFGSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-12(21-19(24)13-5-2-3-6-13)11-18(23)22-17-10-9-14-15(17)7-4-8-16(14)20/h4,7-8,12-13,17H,2-3,5-6,9-11H2,1H3,(H,21,24)(H,22,23)/t12-,17+/m1/s1.
What are the key properties of N-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
N-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 332.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 95771818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).