(2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide

C19H21FN2O2 — CID 130277377

IUPAC(2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide
SMILESCCO[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](N)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2/c1-2-24-18-15-6-4-3-5-13(15)11-16(18)22-19(23)17(21)12-7-9-14(20)10-8-12/h3-10,16-18H,2,11,21H2,1H3,(H,22,23)/t16-,17+,18-/m1/s1
InChIKeyOQMWOSDPBRKTJH-FGTMMUONSA-N
MW328.39 g/mol
LogP2.64
Rot. Bonds5

About (2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide

(2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 130277377) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide
PubChem CID130277377
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide
SMILESCCO[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](N)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2/c1-2-24-18-15-6-4-3-5-13(15)11-16(18)22-19(23)17(21)12-7-9-14(20)10-8-12/h3-10,16-18H,2,11,21H2,1H3,(H,22,23)/t16-,17+,18-/m1/s1
InChIKeyOQMWOSDPBRKTJH-FGTMMUONSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of (2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide (CID 130277377) is (2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for (2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide is CCO[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](N)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is OQMWOSDPBRKTJH-FGTMMUONSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-2-24-18-15-6-4-3-5-13(15)11-16(18)22-19(23)17(21)12-7-9-14(20)10-8-12/h3-10,16-18H,2,11,21H2,1H3,(H,22,23)/t16-,17+,18-/m1/s1.
What are the key properties of (2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide?
(2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 328.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 130277377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).