N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide

C17H17F2N3O2 — CID 86856678

IUPACN'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide
SMILESCN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(F)c2F)cc1
InChIInChI=1S/C17H17F2N3O2/c1-22(2)12-8-6-11(7-9-12)10-20-16(23)17(24)21-14-5-3-4-13(18)15(14)19/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyNPCZONVTEWHRCD-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.29
Rot. Bonds4

About N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide

N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide (PubChem CID 86856678) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide.

Molecular Properties

Compound NameN'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide
PubChem CID86856678
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide
SMILESCN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(F)c2F)cc1
InChIInChI=1S/C17H17F2N3O2/c1-22(2)12-8-6-11(7-9-12)10-20-16(23)17(24)21-14-5-3-4-13(18)15(14)19/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyNPCZONVTEWHRCD-UHFFFAOYSA-N
XLogP2.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide
CID 86996307
N'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide
CID 86856664
N'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 47457450
N'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 2300942
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide
CID 7639329
N-[[4-(dimethylamino)phenyl]methyl]-N'-(3-nitrophenyl)oxamide
CID 71894770
N-(2,3-difluorophenyl)-N'-methyl-N'-[1-(4-methylphenyl)propan-2-yl]oxamide
CID 146132621
1-[[4-(dimethylamino)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 38949164
N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47457392
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(2-fluorophenyl)urea
CID 38887391
N-[[4-(diethylaminomethyl)phenyl]methyl]-N'-[2-(dimethylamino)phenyl]oxamide
CID 86996652
1-(4-bromo-2-fluorophenyl)-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 51290448

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide?
The IUPAC name of N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide (CID 86856678) is N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide.
What is the SMILES notation for N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide?
The canonical SMILES for N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide is CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(F)c2F)cc1.
What is the InChIKey of N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide?
The InChIKey is NPCZONVTEWHRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-22(2)12-8-6-11(7-9-12)10-20-16(23)17(24)21-14-5-3-4-13(18)15(14)19/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide?
N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide has a molecular weight of 333.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide is sourced from PubChem (CID 86856678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).