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

C14H18FNO2 — CID 96538056

IUPAC(2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCCO[C@H](C)C(=O)N[C@H]1CCc2c(F)cccc21
InChIInChI=1S/C14H18FNO2/c1-3-18-9(2)14(17)16-13-8-7-10-11(13)5-4-6-12(10)15/h4-6,9,13H,3,7-8H2,1-2H3,(H,16,17)/t9-,13+/m1/s1
InChIKeyHLWVCNPQMVIMGR-RNCFNFMXSA-N
MW251.30 g/mol
LogP2.35
Rot. Bonds4

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

(2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide (PubChem CID 96538056) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide
PubChem CID96538056
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCCO[C@H](C)C(=O)N[C@H]1CCc2c(F)cccc21
InChIInChI=1S/C14H18FNO2/c1-3-18-9(2)14(17)16-13-8-7-10-11(13)5-4-6-12(10)15/h4-6,9,13H,3,7-8H2,1-2H3,(H,16,17)/t9-,13+/m1/s1
InChIKeyHLWVCNPQMVIMGR-RNCFNFMXSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
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
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 81327848
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid
CID 83069027
4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79492992
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpentanoic acid
CID 83068949
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
N-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 103107186
N-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 95771818
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
N-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
CID 165486516
2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789561
2-(butylsulfonylamino)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97101391

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide?
The IUPAC name of (2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide (CID 96538056) is (2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide.
What is the SMILES notation for (2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide?
The canonical SMILES for (2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide is CCO[C@H](C)C(=O)N[C@H]1CCc2c(F)cccc21.
What is the InChIKey of (2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide?
The InChIKey is HLWVCNPQMVIMGR-RNCFNFMXSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-3-18-9(2)14(17)16-13-8-7-10-11(13)5-4-6-12(10)15/h4-6,9,13H,3,7-8H2,1-2H3,(H,16,17)/t9-,13+/m1/s1.
What are the key properties of (2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide?
(2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide has a molecular weight of 251.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide is sourced from PubChem (CID 96538056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).