N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide

C18H19FN2O2 — CID 30405081

IUPACN'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H19FN2O2/c1-12(14-6-4-3-5-7-14)20-17(22)18(23)21-13(2)15-8-10-16(19)11-9-15/h3-13H,1-2H3,(H,20,22)(H,21,23)/t12-,13-/m1/s1
InChIKeyRXIJMJNQJIPESU-CHWSQXEVSA-N
MW314.36 g/mol
LogP2.88
Rot. Bonds4

About N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide

N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide (PubChem CID 30405081) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
PubChem CID30405081
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H19FN2O2/c1-12(14-6-4-3-5-7-14)20-17(22)18(23)21-13(2)15-8-10-16(19)11-9-15/h3-13H,1-2H3,(H,20,22)(H,21,23)/t12-,13-/m1/s1
InChIKeyRXIJMJNQJIPESU-CHWSQXEVSA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2201157
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2951597
N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 3105349
N-(2,4-difluorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7393082
N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide
CID 44998519
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81347787
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 8670184
2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid
CID 42913580

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide?
The IUPAC name of N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide (CID 30405081) is N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide.
What is the SMILES notation for N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide?
The canonical SMILES for N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide is C[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide?
The InChIKey is RXIJMJNQJIPESU-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12(14-6-4-3-5-7-14)20-17(22)18(23)21-13(2)15-8-10-16(19)11-9-15/h3-13H,1-2H3,(H,20,22)(H,21,23)/t12-,13-/m1/s1.
What are the key properties of N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide?
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide has a molecular weight of 314.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide is sourced from PubChem (CID 30405081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).