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

C18H18FNO2 — CID 137441357

IUPAC(2S)-2-(4-fluorophenyl)-N-[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]propanamide
SMILESC[C@H](C(=O)N[C@H]1Cc2ccccc2[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO2/c1-11(12-6-8-14(19)9-7-12)18(22)20-16-10-13-4-2-3-5-15(13)17(16)21/h2-9,11,16-17,21H,10H2,1H3,(H,20,22)/t11-,16-,17-/m0/s1
InChIKeySHGOWTMBXJHIGI-GOPGUHFVSA-N
MW299.35 g/mol
LogP2.70
Rot. Bonds3

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

(2S)-2-(4-fluorophenyl)-N-[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]propanamide (PubChem CID 137441357) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-N-[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-N-[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]propanamide
PubChem CID137441357
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name(2S)-2-(4-fluorophenyl)-N-[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]propanamide
SMILESC[C@H](C(=O)N[C@H]1Cc2ccccc2[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO2/c1-11(12-6-8-14(19)9-7-12)18(22)20-16-10-13-4-2-3-5-15(13)17(16)21/h2-9,11,16-17,21H,10H2,1H3,(H,20,22)/t11-,16-,17-/m0/s1
InChIKeySHGOWTMBXJHIGI-GOPGUHFVSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-N-[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]propanamide?
The IUPAC name of (2S)-2-(4-fluorophenyl)-N-[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]propanamide (CID 137441357) is (2S)-2-(4-fluorophenyl)-N-[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-N-[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]propanamide?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-N-[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]propanamide is C[C@H](C(=O)N[C@H]1Cc2ccccc2[C@@H]1O)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-N-[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]propanamide?
The InChIKey is SHGOWTMBXJHIGI-GOPGUHFVSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-11(12-6-8-14(19)9-7-12)18(22)20-16-10-13-4-2-3-5-15(13)17(16)21/h2-9,11,16-17,21H,10H2,1H3,(H,20,22)/t11-,16-,17-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-N-[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]propanamide?
(2S)-2-(4-fluorophenyl)-N-[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]propanamide has a molecular weight of 299.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-N-[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]propanamide is sourced from PubChem (CID 137441357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).