(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide

C20H20F2N2O3 — CID 10177403

IUPAC(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C20H20F2N2O3/c1-11(23-18(26)8-12-6-14(21)10-15(22)7-12)20(27)24-19-16-5-3-2-4-13(16)9-17(19)25/h2-7,10-11,17,19,25H,8-9H2,1H3,(H,23,26)(H,24,27)/t11-,17+,19-/m0/s1
InChIKeyVFNGBJWKHOVSFR-JVMOKEISSA-N
MW374.39 g/mol
LogP1.79
Rot. Bonds5

About (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide

(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide (PubChem CID 10177403) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
PubChem CID10177403
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C20H20F2N2O3/c1-11(23-18(26)8-12-6-14(21)10-15(22)7-12)20(27)24-19-16-5-3-2-4-13(16)9-17(19)25/h2-7,10-11,17,19,25H,8-9H2,1H3,(H,23,26)(H,24,27)/t11-,17+,19-/m0/s1
InChIKeyVFNGBJWKHOVSFR-JVMOKEISSA-N
XLogP1.79
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
The IUPAC name of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide (CID 10177403) is (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
The canonical SMILES for (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide is C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
The InChIKey is VFNGBJWKHOVSFR-JVMOKEISSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-11(23-18(26)8-12-6-14(21)10-15(22)7-12)20(27)24-19-16-5-3-2-4-13(16)9-17(19)25/h2-7,10-11,17,19,25H,8-9H2,1H3,(H,23,26)(H,24,27)/t11-,17+,19-/m0/s1.
What are the key properties of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide has a molecular weight of 374.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide is sourced from PubChem (CID 10177403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).