N'-(4-ethoxyphenyl)-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]oxamide

C19H19FN2O3 — CID 95307520

IUPACN'-(4-ethoxyphenyl)-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)N[C@H]2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C19H19FN2O3/c1-2-25-15-8-6-14(7-9-15)21-18(23)19(24)22-17-10-4-12-3-5-13(20)11-16(12)17/h3,5-9,11,17H,2,4,10H2,1H3,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyZGKZCAGVGPXVCV-KRWDZBQOSA-N
MW342.37 g/mol
LogP2.97
Rot. Bonds4

About N'-(4-ethoxyphenyl)-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]oxamide

N'-(4-ethoxyphenyl)-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]oxamide (PubChem CID 95307520) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]oxamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]oxamide
PubChem CID95307520
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN'-(4-ethoxyphenyl)-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)N[C@H]2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C19H19FN2O3/c1-2-25-15-8-6-14(7-9-15)21-18(23)19(24)22-17-10-4-12-3-5-13(20)11-16(12)17/h3,5-9,11,17H,2,4,10H2,1H3,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyZGKZCAGVGPXVCV-KRWDZBQOSA-N
XLogP2.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N'-[3-(methoxymethyl)phenyl]oxamide
CID 95615042
N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115915933
N'-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978
N-[4-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfamoyl]phenyl]acetamide
CID 95317507
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191383
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 5221280
N-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108514530
3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea
CID 99856543
3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea
CID 99856542
1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838878

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]oxamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]oxamide (CID 95307520) is N'-(4-ethoxyphenyl)-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]oxamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]oxamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]oxamide is CCOc1ccc(NC(=O)C(=O)N[C@H]2CCc3ccc(F)cc32)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]oxamide?
The InChIKey is ZGKZCAGVGPXVCV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-2-25-15-8-6-14(7-9-15)21-18(23)19(24)22-17-10-4-12-3-5-13(20)11-16(12)17/h3,5-9,11,17H,2,4,10H2,1H3,(H,21,23)(H,22,24)/t17-/m0/s1.
What are the key properties of N'-(4-ethoxyphenyl)-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]oxamide?
N'-(4-ethoxyphenyl)-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]oxamide has a molecular weight of 342.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]oxamide is sourced from PubChem (CID 95307520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).