N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide

C15H12F2N2O2 — CID 2178334

IUPACN'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H12F2N2O2/c16-11-3-1-10(2-4-11)9-18-14(20)15(21)19-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeySZRVELWXFUSBOQ-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.22
Rot. Bonds3

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

N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide (PubChem CID 2178334) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
PubChem CID2178334
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC NameN'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H12F2N2O2/c16-11-3-1-10(2-4-11)9-18-14(20)15(21)19-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeySZRVELWXFUSBOQ-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.22
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-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978
N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 7541440
N'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 108516187
N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide
CID 44996845
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]thiourea
CID 4533202
N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide
CID 108513981
N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 86995659
N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide
CID 44996874
N-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529871
N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide
CID 2272581
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide
CID 156825130

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide (CID 2178334) is N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide is O=C(NCc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide?
The InChIKey is SZRVELWXFUSBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c16-11-3-1-10(2-4-11)9-18-14(20)15(21)19-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,20)(H,19,21).
What are the key properties of N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide?
N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide has a molecular weight of 290.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 2178334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).