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

C14H20FN3O2 — CID 108524813

IUPACN-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
SMILESCN(C)CCCNC(=O)C(=O)NCc1ccccc1F
InChIInChI=1S/C14H20FN3O2/c1-18(2)9-5-8-16-13(19)14(20)17-10-11-6-3-4-7-12(11)15/h3-4,6-7H,5,8-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyPVSIXSDSIUXJGP-UHFFFAOYSA-N
MW281.33 g/mol
LogP0.51
Rot. Bonds6

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

N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide (PubChem CID 108524813) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
PubChem CID108524813
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
SMILESCN(C)CCCNC(=O)C(=O)NCc1ccccc1F
InChIInChI=1S/C14H20FN3O2/c1-18(2)9-5-8-16-13(19)14(20)17-10-11-6-3-4-7-12(11)15/h3-4,6-7H,5,8-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyPVSIXSDSIUXJGP-UHFFFAOYSA-N
XLogP0.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524698
N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110298783
N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide
CID 108984905
N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110408284
2-N-[3-(dimethylamino)propyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109084012
N'-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108984898
N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide
CID 108528538
1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053381
N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide
CID 7585187
2-N-[3-(dimethylamino)propyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133984
N-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide
CID 108509953
N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide
CID 44995823

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide (CID 108524813) is N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide is CN(C)CCCNC(=O)C(=O)NCc1ccccc1F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide?
The InChIKey is PVSIXSDSIUXJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-18(2)9-5-8-16-13(19)14(20)17-10-11-6-3-4-7-12(11)15/h3-4,6-7H,5,8-10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide?
N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide has a molecular weight of 281.33 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 108524813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).