(2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide

C17H17FN2O — CID 95582106

IUPAC(2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide
SMILESNC(=O)[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccccc1
InChIInChI=1S/C17H17FN2O/c18-13-7-8-14-12(10-13)6-9-15(14)20-16(17(19)21)11-4-2-1-3-5-11/h1-5,7-8,10,15-16,20H,6,9H2,(H2,19,21)/t15-,16+/m0/s1
InChIKeyQDLVYZIFXWWINH-JKSUJKDBSA-N
MW284.33 g/mol
LogP2.63
Rot. Bonds4

About (2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide

(2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide (PubChem CID 95582106) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is (2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide
PubChem CID95582106
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name(2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide
SMILESNC(=O)[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccccc1
InChIInChI=1S/C17H17FN2O/c18-13-7-8-14-12(10-13)6-9-15(14)20-16(17(19)21)11-4-2-1-3-5-11/h1-5,7-8,10,15-16,20H,6,9H2,(H2,19,21)/t15-,16+/m0/s1
InChIKeyQDLVYZIFXWWINH-JKSUJKDBSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylacetamide
CID 94808904
5-fluoro-N-(1-phenylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 115623709
(2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide
CID 95582124
2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentanoic acid
CID 116530988
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111454816
2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethylurea
CID 116531124
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-oxopropanoic acid
CID 122065402
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine-1-carboxamide
CID 60577741
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 116530834
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104889840
(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 104980476
5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115710200

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide (CID 95582106) is (2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide is NC(=O)[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccccc1.
What is the InChIKey of (2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide?
The InChIKey is QDLVYZIFXWWINH-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-13-7-8-14-12(10-13)6-9-15(14)20-16(17(19)21)11-4-2-1-3-5-11/h1-5,7-8,10,15-16,20H,6,9H2,(H2,19,21)/t15-,16+/m0/s1.
What are the key properties of (2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide?
(2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide has a molecular weight of 284.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide is sourced from PubChem (CID 95582106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).