3,5-dichloro-N-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxybenzamide

C13H9Cl2FN2O2 — CID 122149859

IUPAC3,5-dichloro-N-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxybenzamide
SMILESO=C(NCc1ccc(F)cn1)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C13H9Cl2FN2O2/c14-10-3-7(4-11(15)12(10)19)13(20)18-6-9-2-1-8(16)5-17-9/h1-5,19H,6H2,(H,18,20)
InChIKeyDJWDQGFMAGTJCJ-UHFFFAOYSA-N
MW315.13 g/mol
LogP3.16
Rot. Bonds3

About 3,5-dichloro-N-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxybenzamide

3,5-dichloro-N-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxybenzamide (PubChem CID 122149859) has the molecular formula C13H9Cl2FN2O2 and a molecular weight of 315.13 g/mol. Its IUPAC name is 3,5-dichloro-N-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxybenzamide
PubChem CID122149859
Molecular FormulaC13H9Cl2FN2O2
Molecular Weight315.13 g/mol
Exact Mass314.00
IUPAC Name3,5-dichloro-N-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxybenzamide
SMILESO=C(NCc1ccc(F)cn1)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C13H9Cl2FN2O2/c14-10-3-7(4-11(15)12(10)19)13(20)18-6-9-2-1-8(16)5-17-9/h1-5,19H,6H2,(H,18,20)
InChIKeyDJWDQGFMAGTJCJ-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

7-[2-(3,5-Dichloro-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione
CID 57329287
Hsd17B13-IN-34
CID 163301026
US20230278981, Example 137
CID 163301044
US20230278981, Example 13
CID 163301066
US20230278981, Example 130
CID 163301067
US20230278981, Example 19
CID 163301123
US20230278981, Example 69
CID 163301177
Hsd17B13-IN-51
CID 163301216
Hsd17B13-IN-81
CID 167072069
(3,5-Dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone
CID 166063502
(3,5-Dichloro-4-hydroxyphenyl)-pyrrolo[2,3-c]pyridin-1-ylmethanone
CID 166063512
(3,5-Dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone
CID 166063514

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxybenzamide?
The IUPAC name of 3,5-dichloro-N-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxybenzamide (CID 122149859) is 3,5-dichloro-N-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxybenzamide is O=C(NCc1ccc(F)cn1)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxybenzamide?
The InChIKey is DJWDQGFMAGTJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O2/c14-10-3-7(4-11(15)12(10)19)13(20)18-6-9-2-1-8(16)5-17-9/h1-5,19H,6H2,(H,18,20).
What are the key properties of 3,5-dichloro-N-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxybenzamide?
3,5-dichloro-N-[(5-fluoro-2-pyridinyl)methyl]-4-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 3,5-dichloro-N-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxybenzamide is sourced from PubChem (CID 122149859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).