2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide

C13H9Cl2FN2O2 — CID 71967685

IUPAC2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide
SMILESO=C(NCc1ncccc1F)c1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2FN2O2/c14-7-4-8(15)12(11(19)5-7)13(20)18-6-10-9(16)2-1-3-17-10/h1-5,19H,6H2,(H,18,20)
InChIKeyGASZBOOFYHHRAT-UHFFFAOYSA-N
MW315.13 g/mol
LogP3.16
Rot. Bonds3

About 2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide

2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide (PubChem CID 71967685) has the molecular formula C13H9Cl2FN2O2 and a molecular weight of 315.13 g/mol. Its IUPAC name is 2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide
PubChem CID71967685
Molecular FormulaC13H9Cl2FN2O2
Molecular Weight315.13 g/mol
Exact Mass314.00
IUPAC Name2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide
SMILESO=C(NCc1ncccc1F)c1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2FN2O2/c14-7-4-8(15)12(11(19)5-7)13(20)18-6-10-9(16)2-1-3-17-10/h1-5,19H,6H2,(H,18,20)
InChIKeyGASZBOOFYHHRAT-UHFFFAOYSA-N
XLogP3.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 129052370
N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 166179922
1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane
CID 145298054
1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride
CID 129052683
N-[(3-chlorophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104916625
2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide
CID 114559709
4-fluoro-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 55205389
5-cyclobutyl-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 161058919
3,5-dichloro-4-hydroxy-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide
CID 167885122
6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 129052585
N-[(2,5-difluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
CID 55225527
2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 129052705

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide?
The IUPAC name of 2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide (CID 71967685) is 2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide.
What is the SMILES notation for 2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide?
The canonical SMILES for 2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide is O=C(NCc1ncccc1F)c1c(O)cc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide?
The InChIKey is GASZBOOFYHHRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O2/c14-7-4-8(15)12(11(19)5-7)13(20)18-6-10-9(16)2-1-3-17-10/h1-5,19H,6H2,(H,18,20).
What are the key properties of 2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide?
2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide has a molecular weight of 315.13 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide is sourced from PubChem (CID 71967685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).