(2S)-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide

C20H22FNO2 — CID 130277795

IUPAC(2S)-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide
SMILESCCO[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO2/c1-3-24-19-17-7-5-4-6-15(17)12-18(19)22-20(23)13(2)14-8-10-16(21)11-9-14/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,23)/t13-,18+,19+/m0/s1
InChIKeyUFKUMSGSUXYKJC-MJXNMMHHSA-N
MW327.40 g/mol
LogP3.75
Rot. Bonds5

About (2S)-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide

(2S)-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide (PubChem CID 130277795) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is (2S)-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide
PubChem CID130277795
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name(2S)-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide
SMILESCCO[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO2/c1-3-24-19-17-7-5-4-6-15(17)12-18(19)22-20(23)13(2)14-8-10-16(21)11-9-14/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,23)/t13-,18+,19+/m0/s1
InChIKeyUFKUMSGSUXYKJC-MJXNMMHHSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Indeno(2,1-b)pyridin-9-ol, 2,3,9,9a-tetrahydro-1-methyl-, benzoate (ester), monohydrochloride
CID 54554
N-[(R)-2-methoxy-2-(o-tolyl)ethyl]3-(o-fluorophenyl)propionamide
CID 97417764
N-[2-(2-fluorophenyl)-2-methoxyethyl]-2-phenylacetamide
CID 129862270
N-(2-methoxy-2-(o-tolyl)ethyl)-2-phenylbutanamide
CID 71810477
(5R)-5-[(1R,2R)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]pyrrolidin-2-one
CID 18445929
(S)-3,3,3-trifluoro-N-((1R,2S)-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methoxy-2-phenylpropanamide
CID 71283499
9-prop-2-enoxy-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 85777984
9-(2-oxoethoxy)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 85777987
(5R)-5-[(1R,2R)-1-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]pyrrolidin-2-one
CID 87221815
3,3,3-trifluoro-N-[(1R,2S)-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylpropanamide
CID 90284738
5-[(1R,2R)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]pyrrolidin-2-one
CID 91399257
2-(3-fluoroazetidin-1-yl)-2-(4-fluorophenyl)-N-[(1R,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 130277316

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide?
The IUPAC name of (2S)-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide (CID 130277795) is (2S)-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide?
The canonical SMILES for (2S)-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide is CCO[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of (2S)-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide?
The InChIKey is UFKUMSGSUXYKJC-MJXNMMHHSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-3-24-19-17-7-5-4-6-15(17)12-18(19)22-20(23)13(2)14-8-10-16(21)11-9-14/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,23)/t13-,18+,19+/m0/s1.
What are the key properties of (2S)-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide?
(2S)-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide has a molecular weight of 327.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide is sourced from PubChem (CID 130277795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).