3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide

C15H15F2N3O — CID 107595462

IUPAC3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)Nc1ccncc1F
InChIInChI=1S/C15H15F2N3O/c1-2-7-19-14-10(4-3-5-11(14)16)15(21)20-13-6-8-18-9-12(13)17/h3-6,8-9,19H,2,7H2,1H3,(H,18,20,21)
InChIKeyLCGVGEBWTMQUEF-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.43
Rot. Bonds5

About 3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide

3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide (PubChem CID 107595462) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide
PubChem CID107595462
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)Nc1ccncc1F
InChIInChI=1S/C15H15F2N3O/c1-2-7-19-14-10(4-3-5-11(14)16)15(21)20-13-6-8-18-9-12(13)17/h3-6,8-9,19H,2,7H2,1H3,(H,18,20,21)
InChIKeyLCGVGEBWTMQUEF-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide
CID 62650270
3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 62649386
N-(3-fluoro-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 107595450
N-(2-bromo-6-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 107603315
2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 107595178
3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide
CID 114914162
N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide
CID 63501108
3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide
CID 62650730
3-fluoro-2-hydrazinyl-N-(3-methyl-4-pyridinyl)benzamide
CID 63671738
N-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methoxybenzamide
CID 103874422
N-(2-fluorophenyl)-2-(propylamino)benzamide
CID 62166035
N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide?
The IUPAC name of 3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide (CID 107595462) is 3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide.
What is the SMILES notation for 3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide?
The canonical SMILES for 3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide is CCCNc1c(F)cccc1C(=O)Nc1ccncc1F.
What is the InChIKey of 3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide?
The InChIKey is LCGVGEBWTMQUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-2-7-19-14-10(4-3-5-11(14)16)15(21)20-13-6-8-18-9-12(13)17/h3-6,8-9,19H,2,7H2,1H3,(H,18,20,21).
What are the key properties of 3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide?
3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide has a molecular weight of 291.30 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide is sourced from PubChem (CID 107595462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).