3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride

C13H12ClFN2O2 — CID 142684298

IUPAC3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(OCc2ccccn2)c(F)c1
InChIInChI=1S/C13H11FN2O2.ClH/c14-11-7-9(13(15)17)4-5-12(11)18-8-10-3-1-2-6-16-10;/h1-7H,8H2,(H2,15,17);1H
InChIKeyIZGSUMHFUCCDQR-UHFFFAOYSA-N
MW282.70 g/mol
LogP2.32
Rot. Bonds4

About 3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride

3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride (PubChem CID 142684298) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is 3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride
PubChem CID142684298
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC Name3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(OCc2ccccn2)c(F)c1
InChIInChI=1S/C13H11FN2O2.ClH/c14-11-7-9(13(15)17)4-5-12(11)18-8-10-3-1-2-6-16-10;/h1-7H,8H2,(H2,15,17);1H
InChIKeyIZGSUMHFUCCDQR-UHFFFAOYSA-N
XLogP2.32
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
CID 69001811
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2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
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CID 168523388
6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 12017600
1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119898304
4-methoxy-3-(pyridin-2-ylmethylamino)benzamide
CID 43735349
2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol
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1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 107693096
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CID 166253172

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride?
The IUPAC name of 3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride (CID 142684298) is 3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride.
What is the SMILES notation for 3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride?
The canonical SMILES for 3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride is Cl.NC(=O)c1ccc(OCc2ccccn2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride?
The InChIKey is IZGSUMHFUCCDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2.ClH/c14-11-7-9(13(15)17)4-5-12(11)18-8-10-3-1-2-6-16-10;/h1-7H,8H2,(H2,15,17);1H.
What are the key properties of 3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride?
3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride has a molecular weight of 282.70 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride is sourced from PubChem (CID 142684298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).