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

C18H16F4N2O3 — CID 56764243

IUPACN-[(4-fluorophenyl)methyl]-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H16F4N2O3/c19-14-8-6-12(7-9-14)10-23-15(25)16(26)24-11-17(27,18(20,21)22)13-4-2-1-3-5-13/h1-9,27H,10-11H2,(H,23,25)(H,24,26)
InChIKeyLSNHLZJMUXKCKS-UHFFFAOYSA-N
MW384.33 g/mol
LogP2.01
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide (PubChem CID 56764243) has the molecular formula C18H16F4N2O3 and a molecular weight of 384.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide
PubChem CID56764243
Molecular FormulaC18H16F4N2O3
Molecular Weight384.33 g/mol
Exact Mass384.11
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H16F4N2O3/c19-14-8-6-12(7-9-14)10-23-15(25)16(26)24-11-17(27,18(20,21)22)13-4-2-1-3-5-13/h1-9,27H,10-11H2,(H,23,25)(H,24,26)
InChIKeyLSNHLZJMUXKCKS-UHFFFAOYSA-N
XLogP2.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide (CID 56764243) is N-[(4-fluorophenyl)methyl]-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide is O=C(NCc1ccc(F)cc1)C(=O)NCC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide?
The InChIKey is LSNHLZJMUXKCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O3/c19-14-8-6-12(7-9-14)10-23-15(25)16(26)24-11-17(27,18(20,21)22)13-4-2-1-3-5-13/h1-9,27H,10-11H2,(H,23,25)(H,24,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide?
N-[(4-fluorophenyl)methyl]-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide has a molecular weight of 384.33 g/mol, XLogP of 2.01, 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'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide is sourced from PubChem (CID 56764243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).