N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide

C14H19FN2O2 — CID 108528538

IUPACN'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide
SMILESCCCCN(C)C(=O)C(=O)NCc1ccccc1F
InChIInChI=1S/C14H19FN2O2/c1-3-4-9-17(2)14(19)13(18)16-10-11-7-5-6-8-12(11)15/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyJWSXGRQOUVJCMW-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.70
Rot. Bonds5

About N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide

N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide (PubChem CID 108528538) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide.

Molecular Properties

Compound NameN'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide
PubChem CID108528538
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide
SMILESCCCCN(C)C(=O)C(=O)NCc1ccccc1F
InChIInChI=1S/C14H19FN2O2/c1-3-4-9-17(2)14(19)13(18)16-10-11-7-5-6-8-12(11)15/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyJWSXGRQOUVJCMW-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524813
N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide
CID 108518361
N-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide
CID 108509953
N'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide
CID 108528841
N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524698
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300
(2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide
CID 95262158
N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide
CID 109064691
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156545
N'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 108502509
N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide
CID 86976336

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide?
The IUPAC name of N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide (CID 108528538) is N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide.
What is the SMILES notation for N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide?
The canonical SMILES for N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide is CCCCN(C)C(=O)C(=O)NCc1ccccc1F.
What is the InChIKey of N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide?
The InChIKey is JWSXGRQOUVJCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-3-4-9-17(2)14(19)13(18)16-10-11-7-5-6-8-12(11)15/h5-8H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide?
N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide has a molecular weight of 266.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide is sourced from PubChem (CID 108528538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).