3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide

C15H16FN3O — CID 62650270

IUPAC3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide
SMILESCCCNc1c(F)cccc1C(=O)Nc1ccncc1
InChIInChI=1S/C15H16FN3O/c1-2-8-18-14-12(4-3-5-13(14)16)15(20)19-11-6-9-17-10-7-11/h3-7,9-10,18H,2,8H2,1H3,(H,17,19,20)
InChIKeyHTUYWERAQBQQDL-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.29
Rot. Bonds5

About 3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide

3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide (PubChem CID 62650270) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide
PubChem CID62650270
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide
SMILESCCCNc1c(F)cccc1C(=O)Nc1ccncc1
InChIInChI=1S/C15H16FN3O/c1-2-8-18-14-12(4-3-5-13(14)16)15(20)19-11-6-9-17-10-7-11/h3-7,9-10,18H,2,8H2,1H3,(H,17,19,20)
InChIKeyHTUYWERAQBQQDL-UHFFFAOYSA-N
XLogP3.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide
CID 63501108
3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide
CID 107595462
3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 62649386
3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide
CID 62650730
3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide
CID 114914162
N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
CID 83115693
3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
CID 62662634
N-cyclobutyl-3-fluoro-2-(propylamino)benzamide
CID 62662485
N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
CID 103464511
2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 62649385
3-fluoro-N-[2-(methanesulfonamido)ethyl]-2-(propylamino)benzamide
CID 62662394
N-(2,6-difluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62165268

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide (CID 62650270) is 3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide is CCCNc1c(F)cccc1C(=O)Nc1ccncc1.
What is the InChIKey of 3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide?
The InChIKey is HTUYWERAQBQQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-2-8-18-14-12(4-3-5-13(14)16)15(20)19-11-6-9-17-10-7-11/h3-7,9-10,18H,2,8H2,1H3,(H,17,19,20).
What are the key properties of 3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide?
3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide has a molecular weight of 273.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 62650270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).