N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide

C17H17FN2O2 — CID 7541440

IUPACN'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O2/c1-11-7-12(2)9-15(8-11)20-17(22)16(21)19-10-13-3-5-14(18)6-4-13/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyPGIUXDYZBKDZJK-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.70
Rot. Bonds3

About N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide

N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide (PubChem CID 7541440) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide
PubChem CID7541440
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O2/c1-11-7-12(2)9-15(8-11)20-17(22)16(21)19-10-13-3-5-14(18)6-4-13/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyPGIUXDYZBKDZJK-UHFFFAOYSA-N
XLogP2.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.70
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)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24605652
N'-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978
N'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 108516187
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide
CID 44998495
N'-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 7541451
N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide
CID 44996874
N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 86995659
N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 7292734
N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide
CID 44996845
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26696338

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide (CID 7541440) is N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide is Cc1cc(C)cc(NC(=O)C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide?
The InChIKey is PGIUXDYZBKDZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-11-7-12(2)9-15(8-11)20-17(22)16(21)19-10-13-3-5-14(18)6-4-13/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide?
N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide has a molecular weight of 300.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 7541440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).