3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide

C16H18FN3O — CID 62649386

IUPAC3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide
SMILESCCCNc1c(F)cccc1C(=O)NCc1ccncc1
InChIInChI=1S/C16H18FN3O/c1-2-8-19-15-13(4-3-5-14(15)17)16(21)20-11-12-6-9-18-10-7-12/h3-7,9-10,19H,2,8,11H2,1H3,(H,20,21)
InChIKeyGLRUUSKYHIXMMH-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.97
Rot. Bonds6

About 3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide

3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 62649386) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID62649386
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide
SMILESCCCNc1c(F)cccc1C(=O)NCc1ccncc1
InChIInChI=1S/C16H18FN3O/c1-2-8-19-15-13(4-3-5-14(15)17)16(21)20-11-12-6-9-18-10-7-12/h3-7,9-10,19H,2,8,11H2,1H3,(H,20,21)
InChIKeyGLRUUSKYHIXMMH-UHFFFAOYSA-N
XLogP2.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 62649385
3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide
CID 62650270
N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
CID 83115693
3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide
CID 107595462
3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
CID 62661709
N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
CID 103464511
N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide
CID 62649718
3-fluoro-N-[2-(methanesulfonamido)ethyl]-2-(propylamino)benzamide
CID 62662394
N-[2-(dimethylamino)propyl]-3-fluoro-2-(propylamino)benzamide
CID 62660881
N-benzyl-3-fluoro-2-(methylamino)benzamide
CID 55100092
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide
CID 106408836
2-(ethylamino)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248048

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide (CID 62649386) is 3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide is CCCNc1c(F)cccc1C(=O)NCc1ccncc1.
What is the InChIKey of 3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is GLRUUSKYHIXMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-8-19-15-13(4-3-5-14(15)17)16(21)20-11-12-6-9-18-10-7-12/h3-7,9-10,19H,2,8,11H2,1H3,(H,20,21).
What are the key properties of 3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide?
3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 287.34 g/mol, XLogP of 2.97, 6 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-ylmethyl)benzamide is sourced from PubChem (CID 62649386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).