4-fluoro-N-(3-hydroxypropyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide

C17H19FN2O2 — CID 122145333

IUPAC4-fluoro-N-(3-hydroxypropyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1cc(C(=O)N(CCCO)Cc2ccccn2)ccc1F
InChIInChI=1S/C17H19FN2O2/c1-13-11-14(6-7-16(13)18)17(22)20(9-4-10-21)12-15-5-2-3-8-19-15/h2-3,5-8,11,21H,4,9-10,12H2,1H3
InChIKeyRDTHXLVGHRLFGZ-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.55
Rot. Bonds6

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

4-fluoro-N-(3-hydroxypropyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 122145333) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-fluoro-N-(3-hydroxypropyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-hydroxypropyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID122145333
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name4-fluoro-N-(3-hydroxypropyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1cc(C(=O)N(CCCO)Cc2ccccn2)ccc1F
InChIInChI=1S/C17H19FN2O2/c1-13-11-14(6-7-16(13)18)17(22)20(9-4-10-21)12-15-5-2-3-8-19-15/h2-3,5-8,11,21H,4,9-10,12H2,1H3
InChIKeyRDTHXLVGHRLFGZ-UHFFFAOYSA-N
XLogP2.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 63212311
3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]amino]sulfanyl-N-(3-hydroxypropyl)-N-(pyridin-2-ylmethyl)benzamide
CID 167012519
4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084436
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide
CID 113055209
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
N-ethyl-4-fluoro-3-methyl-N-(2-phenylethyl)benzamide
CID 63213317
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60559259
3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113339415
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724645
N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
CID 63287370
2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 103755974
3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103707127

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-hydroxypropyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-N-(3-hydroxypropyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide (CID 122145333) is 4-fluoro-N-(3-hydroxypropyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-hydroxypropyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-hydroxypropyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide is Cc1cc(C(=O)N(CCCO)Cc2ccccn2)ccc1F.
What is the InChIKey of 4-fluoro-N-(3-hydroxypropyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is RDTHXLVGHRLFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-13-11-14(6-7-16(13)18)17(22)20(9-4-10-21)12-15-5-2-3-8-19-15/h2-3,5-8,11,21H,4,9-10,12H2,1H3.
What are the key properties of 4-fluoro-N-(3-hydroxypropyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide?
4-fluoro-N-(3-hydroxypropyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 302.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-hydroxypropyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 122145333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).