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

C19H19FN2O3 — CID 71782200

IUPACN-[(4-fluorophenyl)methyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC1(O)CCc2ccccc21
InChIInChI=1S/C19H19FN2O3/c20-15-7-5-13(6-8-15)11-21-17(23)18(24)22-12-19(25)10-9-14-3-1-2-4-16(14)19/h1-8,25H,9-12H2,(H,21,23)(H,22,24)
InChIKeyLOJCJNSAGVRVHE-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.39
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide (PubChem CID 71782200) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide
PubChem CID71782200
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC1(O)CCc2ccccc21
InChIInChI=1S/C19H19FN2O3/c20-15-7-5-13(6-8-15)11-21-17(23)18(24)22-12-19(25)10-9-14-3-1-2-4-16(14)19/h1-8,25H,9-12H2,(H,21,23)(H,22,24)
InChIKeyLOJCJNSAGVRVHE-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
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

N-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methyl]acetamide
CID 59493190
N-(4-Fluoro-benzyl)-2-[4-(4-fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-acetamide
CID 646544
N1-(4-fluorobenzyl)-N2-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxalamide
CID 56764243
N-[(1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 71782154
N-{[(S)-1-hydroxy-1-indanyl]methyl}o-fluorobenzamide
CID 95983064
N-{[(S)-1-hydroxy-1-indanyl]methyl}3-[p-(trifluoromethyl)phenyl]propionamide
CID 99708862
N1-cyclopentyl-N2-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)oxalamide
CID 71782195
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)cyclohex-3-enecarboxamide
CID 71796723
2-{[N-(S)-1-phenylethylcarbamoylcarbonylamino]methyl}-2-indanol
CID 100733250
N-[2-(4-fluorophenyl)ethyl]-2-(3-hydroxy-3-phenylpyrrolidin-1-yl)acetamide
CID 50960793
N1-(4-fluorobenzyl)-N2-(2-hydroxy-2-phenylpropyl)oxalamide
CID 56765396
N1-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-N2-(3-(trifluoromethyl)phenyl)oxalamide
CID 71782210

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide (CID 71782200) is N-[(4-fluorophenyl)methyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide is O=C(NCc1ccc(F)cc1)C(=O)NCC1(O)CCc2ccccc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
The InChIKey is LOJCJNSAGVRVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-15-7-5-13(6-8-15)11-21-17(23)18(24)22-12-19(25)10-9-14-3-1-2-4-16(14)19/h1-8,25H,9-12H2,(H,21,23)(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
N-[(4-fluorophenyl)methyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide has a molecular weight of 342.37 g/mol, XLogP of 1.39, 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'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide is sourced from PubChem (CID 71782200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).