N-[(4-fluorophenyl)methyl]-N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide

C19H19FN2O3 — CID 91631235

IUPACN-[(4-fluorophenyl)methyl]-N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C19H19FN2O3/c20-16-7-5-13(6-8-16)11-21-17(23)18(24)22-12-19(25)9-14-3-1-2-4-15(14)10-19/h1-8,25H,9-12H2,(H,21,23)(H,22,24)
InChIKeyNKFDOWWOIUEYTM-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.09
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide

N-[(4-fluorophenyl)methyl]-N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide (PubChem CID 91631235) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide
PubChem CID91631235
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C19H19FN2O3/c20-16-7-5-13(6-8-16)11-21-17(23)18(24)22-12-19(25)9-14-3-1-2-4-15(14)10-19/h1-8,25H,9-12H2,(H,21,23)(H,22,24)
InChIKeyNKFDOWWOIUEYTM-UHFFFAOYSA-N
XLogP1.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N1-(4-fluorobenzyl)-N2-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxalamide
CID 56764243
N1-(4-fluorobenzyl)-N2-(2-hydroxy-3-phenylpropyl)oxalamide
CID 56765307
N1-(4-fluorobenzyl)-N2-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)oxalamide
CID 71782200
2,6-difluoro-N-[(2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl]benzamide
CID 91631175
N1-(3-fluoro-4-methylphenyl)-N2-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)oxalamide
CID 91631236
N1-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)-N2-(4-(trifluoromethyl)phenyl)oxalamide
CID 91631241
1-benzyl-3-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 91631247
2-{[N-(S)-1-phenylethylcarbamoylcarbonylamino]methyl}-2-indanol
CID 100733250
N1-(4-fluorobenzyl)-N2-(2-hydroxy-2-phenylpropyl)oxalamide
CID 56765396
2-(diethylamino)-N-[9-(hydroxymethyl)fluoren-9-yl]acetamide
CID 164669631
N1-(4-fluorobenzyl)-N2-((1-hydroxycyclopentyl)methyl)oxalamide
CID 49670577
N-[(4-fluorophenyl)methyl]-2-[(1-hydroxy-2-phenylbutan-2-yl)amino]acetamide
CID 53599181

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide (CID 91631235) is N-[(4-fluorophenyl)methyl]-N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide is O=C(NCc1ccc(F)cc1)C(=O)NCC1(O)Cc2ccccc2C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide?
The InChIKey is NKFDOWWOIUEYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-16-7-5-13(6-8-16)11-21-17(23)18(24)22-12-19(25)9-14-3-1-2-4-15(14)10-19/h1-8,25H,9-12H2,(H,21,23)(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide?
N-[(4-fluorophenyl)methyl]-N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide has a molecular weight of 342.37 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide is sourced from PubChem (CID 91631235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).