N-[(2,4-dimethylphenyl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide

C18H19FN2O2 — CID 60551809

IUPACN-[(2,4-dimethylphenyl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide
SMILESCc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)c(C)c1
InChIInChI=1S/C18H19FN2O2/c1-11-4-6-14(13(3)8-11)10-20-17(22)18(23)21-15-7-5-12(2)16(19)9-15/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyNXRDNPNNGREGAJ-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.01
Rot. Bonds3

About N-[(2,4-dimethylphenyl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide

N-[(2,4-dimethylphenyl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide (PubChem CID 60551809) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide
PubChem CID60551809
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide
SMILESCc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)c(C)c1
InChIInChI=1S/C18H19FN2O2/c1-11-4-6-14(13(3)8-11)10-20-17(22)18(23)21-15-7-5-12(2)16(19)9-15/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyNXRDNPNNGREGAJ-UHFFFAOYSA-N
XLogP3.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.01
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'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60617251
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9045618
N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672518
N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide
CID 7585173
N'-[2-(dimethylcarbamoyl)phenyl]-N-[(2,4-dimethylphenyl)methyl]oxamide
CID 87044005
N-[(2,4-dimethylphenyl)methyl]-N'-(2-propan-2-ylphenyl)oxamide
CID 60551940
2-(2,5-dimethylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9079711
N-[2-(2,4-dimethylphenyl)ethyl]-N'-(2-methyl-4-pyridinyl)oxamide
CID 154766880
N-[(2,4-dimethylphenyl)methyl]-2-hydroxyacetamide
CID 82125722
2-(2,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 7596977
N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]oxamide
CID 95984495
N'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide
CID 167915427

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide (CID 60551809) is N-[(2,4-dimethylphenyl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide is Cc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide?
The InChIKey is NXRDNPNNGREGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-11-4-6-14(13(3)8-11)10-20-17(22)18(23)21-15-7-5-12(2)16(19)9-15/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide?
N-[(2,4-dimethylphenyl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide has a molecular weight of 314.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide is sourced from PubChem (CID 60551809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).