3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide

C13H14F2N4O — CID 63185767

IUPAC3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NCCn2ccnc2)cc1F
InChIInChI=1S/C13H14F2N4O/c1-16-12-10(14)6-9(7-11(12)15)13(20)18-3-5-19-4-2-17-8-19/h2,4,6-8,16H,3,5H2,1H3,(H,18,20)
InChIKeyWFTZGJUMPHRFMN-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.63
Rot. Bonds5

About 3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide

3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide (PubChem CID 63185767) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide
PubChem CID63185767
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NCCn2ccnc2)cc1F
InChIInChI=1S/C13H14F2N4O/c1-16-12-10(14)6-9(7-11(12)15)13(20)18-3-5-19-4-2-17-8-19/h2,4,6-8,16H,3,5H2,1H3,(H,18,20)
InChIKeyWFTZGJUMPHRFMN-UHFFFAOYSA-N
XLogP1.63
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
CID 103907789
4-fluoro-N-(2-imidazol-1-ylethyl)-3-sulfanylbenzamide
CID 107024935
N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide
CID 63213649
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718
3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
CID 63185327
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783
4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide
CID 62681162
3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide
CID 115645510
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
4-bromo-N-(2-imidazol-1-ylethyl)-3-methylbenzamide
CID 112705775
2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide
CID 62173721
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide?
The IUPAC name of 3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide (CID 63185767) is 3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide?
The canonical SMILES for 3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide is CNc1c(F)cc(C(=O)NCCn2ccnc2)cc1F.
What is the InChIKey of 3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide?
The InChIKey is WFTZGJUMPHRFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-16-12-10(14)6-9(7-11(12)15)13(20)18-3-5-19-4-2-17-8-19/h2,4,6-8,16H,3,5H2,1H3,(H,18,20).
What are the key properties of 3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide?
3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide has a molecular weight of 280.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide is sourced from PubChem (CID 63185767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).