N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide

C16H16FN3O2 — CID 108520830

IUPACN-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide
SMILESCN(C)c1cccc(NC(=O)C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H16FN3O2/c1-20(2)12-7-5-6-11(10-12)18-15(21)16(22)19-14-9-4-3-8-13(14)17/h3-10H,1-2H3,(H,18,21)(H,19,22)
InChIKeyQGUOHUQIMVIMPH-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.47
Rot. Bonds3

About N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide

N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide (PubChem CID 108520830) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide
PubChem CID108520830
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide
SMILESCN(C)c1cccc(NC(=O)C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H16FN3O2/c1-20(2)12-7-5-6-11(10-12)18-15(21)16(22)19-14-9-4-3-8-13(14)17/h3-10H,1-2H3,(H,18,21)(H,19,22)
InChIKeyQGUOHUQIMVIMPH-UHFFFAOYSA-N
XLogP2.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-N'-(2-fluorophenyl)oxamide
CID 108520808
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
N-(2-fluorophenyl)-N'-methyl-N'-phenyloxamide
CID 108520782
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide
CID 108529062
1-[3-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
CID 108871519
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108511487
1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea
CID 108896576
N'-(3,5-dichlorophenyl)-N-(2-fluorophenyl)oxamide
CID 108520851
5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide
CID 108954767
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 2518669

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide (CID 108520830) is N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide is CN(C)c1cccc(NC(=O)C(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide?
The InChIKey is QGUOHUQIMVIMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-20(2)12-7-5-6-11(10-12)18-15(21)16(22)19-14-9-4-3-8-13(14)17/h3-10H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide?
N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide has a molecular weight of 301.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide is sourced from PubChem (CID 108520830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).