N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-fluorophenyl)methyl]oxamide

C15H19FN2O3 — CID 52992795

IUPACN'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-fluorophenyl)methyl]oxamide
SMILESCC(O)(CNC(=O)C(=O)NCc1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H19FN2O3/c1-15(21,11-4-5-11)9-18-14(20)13(19)17-8-10-2-6-12(16)7-3-10/h2-3,6-7,11,21H,4-5,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyXAQRCSOVFFKKIC-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.72
Rot. Bonds5

About N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-fluorophenyl)methyl]oxamide

N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-fluorophenyl)methyl]oxamide (PubChem CID 52992795) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-fluorophenyl)methyl]oxamide
PubChem CID52992795
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC NameN'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-fluorophenyl)methyl]oxamide
SMILESCC(O)(CNC(=O)C(=O)NCc1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H19FN2O3/c1-15(21,11-4-5-11)9-18-14(20)13(19)17-8-10-2-6-12(16)7-3-10/h2-3,6-7,11,21H,4-5,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyXAQRCSOVFFKKIC-UHFFFAOYSA-N
XLogP0.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.72
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-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 16283470
N-benzyl-N'-isobutylethanediamide
CID 2058082
N'-benzyl-N-(3-methylbutyl)oxamide
CID 1936789
N'-[(4-fluorophenyl)methyl]-N-prop-2-enyloxamide
CID 2178375
N1-(4-fluorobenzyl)-N2-(2-methoxyethyl)oxalamide
CID 2208321
2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 4795248
N1-cyclopropyl-N2-(2,6-difluorobenzyl)oxalamide
CID 18588796
N1-(4-fluorobenzyl)-N2-methyloxalamide
CID 40805398
N1-(4-fluorobenzyl)-N2-(3-hydroxypropyl)oxalamide
CID 44996846
2-[(3R*,4R*)-4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 70783366
N-benzyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide
CID 71783281
2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 71783283

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-fluorophenyl)methyl]oxamide (CID 52992795) is N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-fluorophenyl)methyl]oxamide is CC(O)(CNC(=O)C(=O)NCc1ccc(F)cc1)C1CC1.
What is the InChIKey of N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-fluorophenyl)methyl]oxamide?
The InChIKey is XAQRCSOVFFKKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-15(21,11-4-5-11)9-18-14(20)13(19)17-8-10-2-6-12(16)7-3-10/h2-3,6-7,11,21H,4-5,8-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-fluorophenyl)methyl]oxamide?
N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-fluorophenyl)methyl]oxamide has a molecular weight of 294.33 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 52992795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).