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

C16H15FN2O3 — CID 108531519

IUPACN-[(2-fluorophenyl)methyl]-N'-(2-hydroxy-4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCc2ccccc2F)c(O)c1
InChIInChI=1S/C16H15FN2O3/c1-10-6-7-13(14(20)8-10)19-16(22)15(21)18-9-11-4-2-3-5-12(11)17/h2-8,20H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyROKVFEJBOZULSW-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.09
Rot. Bonds3

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

N-[(2-fluorophenyl)methyl]-N'-(2-hydroxy-4-methylphenyl)oxamide (PubChem CID 108531519) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N'-(2-hydroxy-4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N'-(2-hydroxy-4-methylphenyl)oxamide
PubChem CID108531519
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC NameN-[(2-fluorophenyl)methyl]-N'-(2-hydroxy-4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCc2ccccc2F)c(O)c1
InChIInChI=1S/C16H15FN2O3/c1-10-6-7-13(14(20)8-10)19-16(22)15(21)18-9-11-4-2-3-5-12(11)17/h2-8,20H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyROKVFEJBOZULSW-UHFFFAOYSA-N
XLogP2.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108897572
N-[(2-fluorophenyl)methyl]-N'-(2-hydroxyphenyl)oxamide
CID 108514358
N'-(2-bromo-4-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946335
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 108520475
N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108531639
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide
CID 108984915
N-(2,5-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 2596673
1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899779
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 9495603
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide
CID 108510628

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N'-(2-hydroxy-4-methylphenyl)oxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N'-(2-hydroxy-4-methylphenyl)oxamide (CID 108531519) is N-[(2-fluorophenyl)methyl]-N'-(2-hydroxy-4-methylphenyl)oxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N'-(2-hydroxy-4-methylphenyl)oxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N'-(2-hydroxy-4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NCc2ccccc2F)c(O)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N'-(2-hydroxy-4-methylphenyl)oxamide?
The InChIKey is ROKVFEJBOZULSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-10-6-7-13(14(20)8-10)19-16(22)15(21)18-9-11-4-2-3-5-12(11)17/h2-8,20H,9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-N'-(2-hydroxy-4-methylphenyl)oxamide?
N-[(2-fluorophenyl)methyl]-N'-(2-hydroxy-4-methylphenyl)oxamide has a molecular weight of 302.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N'-(2-hydroxy-4-methylphenyl)oxamide is sourced from PubChem (CID 108531519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).