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

C18H19FN2O3 — CID 95368083

IUPACN-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-phenylpropyl]oxamide
SMILESC[C@@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H19FN2O3/c1-18(24,14-5-3-2-4-6-14)12-21-17(23)16(22)20-11-13-7-9-15(19)10-8-13/h2-10,24H,11-12H2,1H3,(H,20,22)(H,21,23)/t18-/m1/s1
InChIKeyPVHBLRLESIIRRV-GOSISDBHSA-N
MW330.36 g/mol
LogP1.47
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-phenylpropyl]oxamide (PubChem CID 95368083) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-phenylpropyl]oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-phenylpropyl]oxamide
PubChem CID95368083
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-phenylpropyl]oxamide
SMILESC[C@@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H19FN2O3/c1-18(24,14-5-3-2-4-6-14)12-21-17(23)16(22)20-11-13-7-9-15(19)10-8-13/h2-10,24H,11-12H2,1H3,(H,20,22)(H,21,23)/t18-/m1/s1
InChIKeyPVHBLRLESIIRRV-GOSISDBHSA-N
XLogP1.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.47
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

SR1555
CID 71470549
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2-[(4-Fluorobenzyl)amino]-1-(4-fluorophenyl)-1-phenyl-1-ethanol
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N-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide
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2-Benzylamino-1,1-bis-(4-fluoro-phenyl)-ethanol
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CID 97407
2-[4-(4-Fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-N-(2-methyl-cyclohexyl)-acetamide
CID 650020
N-Allyl-2-(4-hydroxy-4-phenyl-piperidin-1-yl)-acetamide
CID 650451
N-Allyl-2-[4-(4-fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-acetamide
CID 653579
2-[4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidin-1-yl]-N-phenethyl-acetamide
CID 3228837
1-(4-Fluorophenyl)-2-[(4-methylbenzyl)amino]-1-phenyl-1-ethanol
CID 3724891

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-phenylpropyl]oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-phenylpropyl]oxamide (CID 95368083) is N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-phenylpropyl]oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-phenylpropyl]oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-phenylpropyl]oxamide is C[C@@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-phenylpropyl]oxamide?
The InChIKey is PVHBLRLESIIRRV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-18(24,14-5-3-2-4-6-14)12-21-17(23)16(22)20-11-13-7-9-15(19)10-8-13/h2-10,24H,11-12H2,1H3,(H,20,22)(H,21,23)/t18-/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-phenylpropyl]oxamide?
N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-phenylpropyl]oxamide has a molecular weight of 330.36 g/mol, XLogP of 1.47, 5 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'-[(2S)-2-hydroxy-2-phenylpropyl]oxamide is sourced from PubChem (CID 95368083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).