N-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

C17H17FN2O3 — CID 95614827

IUPACN-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CCc2ccc(F)cc21
InChIInChI=1S/C17H17FN2O3/c1-10(19-17(22)12-6-7-23-9-12)16(21)20-15-5-3-11-2-4-13(18)8-14(11)15/h2,4,6-10,15H,3,5H2,1H3,(H,19,22)(H,20,21)/t10-,15-/m0/s1
InChIKeyWGMPCEQIBGPSLM-BONVTDFDSA-N
MW316.33 g/mol
LogP2.34
Rot. Bonds4

About N-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 95614827) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID95614827
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CCc2ccc(F)cc21
InChIInChI=1S/C17H17FN2O3/c1-10(19-17(22)12-6-7-23-9-12)16(21)20-15-5-3-11-2-4-13(18)8-14(11)15/h2,4,6-10,15H,3,5H2,1H3,(H,19,22)(H,20,21)/t10-,15-/m0/s1
InChIKeyWGMPCEQIBGPSLM-BONVTDFDSA-N
XLogP2.34
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
N-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 95157191
4-tert-butyl-N-[(2S)-1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-oxopropan-2-yl]benzamide
CID 55935959
N-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide
CID 97349458
N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 136512280
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-2-phenylacetamide
CID 111538143
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-oxopropanoic acid
CID 122065402
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(methylsulfamoyl)benzamide
CID 56782488
2-(2,4-dichlorophenyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylacetamide
CID 166231646
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111506065
N-[(2S)-1-oxo-1-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
CID 124734055
N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
CID 124734053

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 95614827) is N-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is C[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CCc2ccc(F)cc21.
What is the InChIKey of N-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is WGMPCEQIBGPSLM-BONVTDFDSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-10(19-17(22)12-6-7-23-9-12)16(21)20-15-5-3-11-2-4-13(18)8-14(11)15/h2,4,6-10,15H,3,5H2,1H3,(H,19,22)(H,20,21)/t10-,15-/m0/s1.
What are the key properties of N-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 95614827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).