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

C15H15F2N3O — CID 63185327

IUPAC3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
SMILESCNc1c(F)cc(C(=O)NCCc2ccncc2)cc1F
InChIInChI=1S/C15H15F2N3O/c1-18-14-12(16)8-11(9-13(14)17)15(21)20-7-4-10-2-5-19-6-3-10/h2-3,5-6,8-9,18H,4,7H2,1H3,(H,20,21)
InChIKeyQYMIRZFLXYJWGJ-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.37
Rot. Bonds5

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

3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 63185327) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID63185327
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
SMILESCNc1c(F)cc(C(=O)NCCc2ccncc2)cc1F
InChIInChI=1S/C15H15F2N3O/c1-18-14-12(16)8-11(9-13(14)17)15(21)20-7-4-10-2-5-19-6-3-10/h2-3,5-6,8-9,18H,4,7H2,1H3,(H,20,21)
InChIKeyQYMIRZFLXYJWGJ-UHFFFAOYSA-N
XLogP2.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-hydrazinyl-N-(2-pyridin-4-ylethyl)benzamide
CID 63186092
3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
CID 62661709
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 62680036
3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide
CID 61104259
3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide
CID 65236987
3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide
CID 63185767
4-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 70990816
3,5-difluoro-4-(methylamino)-N-pentylbenzamide
CID 63183966
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide
CID 63183539
4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide
CID 63185192
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide (CID 63185327) is 3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide is CNc1c(F)cc(C(=O)NCCc2ccncc2)cc1F.
What is the InChIKey of 3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is QYMIRZFLXYJWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-18-14-12(16)8-11(9-13(14)17)15(21)20-7-4-10-2-5-19-6-3-10/h2-3,5-6,8-9,18H,4,7H2,1H3,(H,20,21).
What are the key properties of 3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide?
3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 291.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 63185327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).