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

C16H24FN3O2 — CID 108524698

IUPACN-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
SMILESCCN(CC)CCCNC(=O)C(=O)NCc1ccccc1F
InChIInChI=1S/C16H24FN3O2/c1-3-20(4-2)11-7-10-18-15(21)16(22)19-12-13-8-5-6-9-14(13)17/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyHPSLRYVSOHQSMY-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.29
Rot. Bonds8

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

N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide (PubChem CID 108524698) has the molecular formula C16H24FN3O2 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
PubChem CID108524698
Molecular FormulaC16H24FN3O2
Molecular Weight309.38 g/mol
Exact Mass309.19
IUPAC NameN-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
SMILESCCN(CC)CCCNC(=O)C(=O)NCc1ccccc1F
InChIInChI=1S/C16H24FN3O2/c1-3-20(4-2)11-7-10-18-15(21)16(22)19-12-13-8-5-6-9-14(13)17/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyHPSLRYVSOHQSMY-UHFFFAOYSA-N
XLogP1.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.29
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-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524813
N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide
CID 108984905
N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide
CID 108528538
1-[3-(diethylamino)propyl]-3-ethyl-2-[(2-fluorophenyl)methyl]guanidine
CID 111266619
N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide
CID 104916525
N-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide
CID 108509953
N-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108506711
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
N'-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108984898
2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide
CID 69088444
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide
CID 108520921

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide (CID 108524698) is N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide is CCN(CC)CCCNC(=O)C(=O)NCc1ccccc1F.
What is the InChIKey of N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide?
The InChIKey is HPSLRYVSOHQSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-3-20(4-2)11-7-10-18-15(21)16(22)19-12-13-8-5-6-9-14(13)17/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide?
N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide has a molecular weight of 309.38 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 108524698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).