3-chloro-4,6-dihydroxy-2-(phenylmethoxymethyl)-N-(pyridin-2-ylmethyl)benzamide

C21H19ClN2O4 — CID 11596445

IUPAC3-chloro-4,6-dihydroxy-2-(phenylmethoxymethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1c(O)cc(O)c(Cl)c1COCc1ccccc1
InChIInChI=1S/C21H19ClN2O4/c22-20-16(13-28-12-14-6-2-1-3-7-14)19(17(25)10-18(20)26)21(27)24-11-15-8-4-5-9-23-15/h1-10,25-26H,11-13H2,(H,24,27)
InChIKeyLHXPDJVAVMSBIS-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.79
Rot. Bonds7

About 3-chloro-4,6-dihydroxy-2-(phenylmethoxymethyl)-N-(pyridin-2-ylmethyl)benzamide

3-chloro-4,6-dihydroxy-2-(phenylmethoxymethyl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 11596445) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is 3-chloro-4,6-dihydroxy-2-(phenylmethoxymethyl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4,6-dihydroxy-2-(phenylmethoxymethyl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID11596445
Molecular FormulaC21H19ClN2O4
Molecular Weight398.85 g/mol
Exact Mass398.10
IUPAC Name3-chloro-4,6-dihydroxy-2-(phenylmethoxymethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1c(O)cc(O)c(Cl)c1COCc1ccccc1
InChIInChI=1S/C21H19ClN2O4/c22-20-16(13-28-12-14-6-2-1-3-7-14)19(17(25)10-18(20)26)21(27)24-11-15-8-4-5-9-23-15/h1-10,25-26H,11-13H2,(H,24,27)
InChIKeyLHXPDJVAVMSBIS-UHFFFAOYSA-N
XLogP3.79
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,6-dihydroxy-2-(phenylmethoxymethyl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4,6-dihydroxy-2-(phenylmethoxymethyl)-N-(pyridin-2-ylmethyl)benzamide (CID 11596445) is 3-chloro-4,6-dihydroxy-2-(phenylmethoxymethyl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4,6-dihydroxy-2-(phenylmethoxymethyl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4,6-dihydroxy-2-(phenylmethoxymethyl)-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1c(O)cc(O)c(Cl)c1COCc1ccccc1.
What is the InChIKey of 3-chloro-4,6-dihydroxy-2-(phenylmethoxymethyl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is LHXPDJVAVMSBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4/c22-20-16(13-28-12-14-6-2-1-3-7-14)19(17(25)10-18(20)26)21(27)24-11-15-8-4-5-9-23-15/h1-10,25-26H,11-13H2,(H,24,27).
What are the key properties of 3-chloro-4,6-dihydroxy-2-(phenylmethoxymethyl)-N-(pyridin-2-ylmethyl)benzamide?
3-chloro-4,6-dihydroxy-2-(phenylmethoxymethyl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 398.85 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,6-dihydroxy-2-(phenylmethoxymethyl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 11596445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).