N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-3-phenylpropyl)oxamide

C18H19FN2O3 — CID 56765307

IUPACN-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-3-phenylpropyl)oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C18H19FN2O3/c19-15-8-6-14(7-9-15)11-20-17(23)18(24)21-12-16(22)10-13-4-2-1-3-5-13/h1-9,16,22H,10-12H2,(H,20,23)(H,21,24)
InChIKeyDWXUAFXSTOVTOP-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.16
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-3-phenylpropyl)oxamide

N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-3-phenylpropyl)oxamide (PubChem CID 56765307) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-3-phenylpropyl)oxamide
PubChem CID56765307
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-3-phenylpropyl)oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C18H19FN2O3/c19-15-8-6-14(7-9-15)11-20-17(23)18(24)21-12-16(22)10-13-4-2-1-3-5-13/h1-9,16,22H,10-12H2,(H,20,23)(H,21,24)
InChIKeyDWXUAFXSTOVTOP-UHFFFAOYSA-N
XLogP1.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.16
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

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CID 46937118
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
CID 44334280
N-((2S,3R)-4-(3-tert-butylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 52944055
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-isopropylbenzylamino)butan-2-yl)acetamide
CID 54586032
N-(2-hydroxy-1,2-diphenylethyl)acetamide
CID 5151076
(2S)-N-[(1S,2S)-2-Hydroxy-1,2-diphenylethyl]-2-pyrrolidinecarboxamide
CID 11243841
2-Oxo-1,2-dihydropyridin-3-yl amide derivative, 7u
CID 44473107
2-Oxo-1,2-dihydropyridin-3-yl amide derivative, 7v
CID 44473108
(2R,3S)-3-amino-2-hydroxy-N-((S)-2-(hydroxyamino)-2-oxo-1-phenylethyl)-3-phenylpropanamide hydrochloride (7e)
CID 129625719
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-phenylcyclohexylamino)butan-2-yl)acetamide
CID 49862830
N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]acetamide
CID 71718244

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-3-phenylpropyl)oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-3-phenylpropyl)oxamide (CID 56765307) is N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-3-phenylpropyl)oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-3-phenylpropyl)oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-3-phenylpropyl)oxamide is O=C(NCc1ccc(F)cc1)C(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-3-phenylpropyl)oxamide?
The InChIKey is DWXUAFXSTOVTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-15-8-6-14(7-9-15)11-20-17(23)18(24)21-12-16(22)10-13-4-2-1-3-5-13/h1-9,16,22H,10-12H2,(H,20,23)(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-3-phenylpropyl)oxamide?
N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-3-phenylpropyl)oxamide has a molecular weight of 330.36 g/mol, XLogP of 1.16, 6 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-3-phenylpropyl)oxamide is sourced from PubChem (CID 56765307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).