5-chloro-N-[2-chloro-4-(pyridin-3-ylmethylamino)phenyl]-2-hydroxybenzamide

C19H15Cl2N3O2 — CID 164614460

IUPAC5-chloro-N-[2-chloro-4-(pyridin-3-ylmethylamino)phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(NCc2cccnc2)cc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C19H15Cl2N3O2/c20-13-3-6-18(25)15(8-13)19(26)24-17-5-4-14(9-16(17)21)23-11-12-2-1-7-22-10-12/h1-10,23,25H,11H2,(H,24,26)
InChIKeyQGPCKRWOXWCQKT-UHFFFAOYSA-N
MW388.25 g/mol
LogP4.96
Rot. Bonds5

About 5-chloro-N-[2-chloro-4-(pyridin-3-ylmethylamino)phenyl]-2-hydroxybenzamide

5-chloro-N-[2-chloro-4-(pyridin-3-ylmethylamino)phenyl]-2-hydroxybenzamide (PubChem CID 164614460) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 5-chloro-N-[2-chloro-4-(pyridin-3-ylmethylamino)phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-chloro-4-(pyridin-3-ylmethylamino)phenyl]-2-hydroxybenzamide
PubChem CID164614460
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC Name5-chloro-N-[2-chloro-4-(pyridin-3-ylmethylamino)phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(NCc2cccnc2)cc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C19H15Cl2N3O2/c20-13-3-6-18(25)15(8-13)19(26)24-17-5-4-14(9-16(17)21)23-11-12-2-1-7-22-10-12/h1-10,23,25H,11H2,(H,24,26)
InChIKeyQGPCKRWOXWCQKT-UHFFFAOYSA-N
XLogP4.96
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-chloro-4-(pyridin-3-ylmethylamino)phenyl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[2-chloro-4-(pyridin-3-ylmethylamino)phenyl]-2-hydroxybenzamide (CID 164614460) is 5-chloro-N-[2-chloro-4-(pyridin-3-ylmethylamino)phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-chloro-4-(pyridin-3-ylmethylamino)phenyl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[2-chloro-4-(pyridin-3-ylmethylamino)phenyl]-2-hydroxybenzamide is O=C(Nc1ccc(NCc2cccnc2)cc1Cl)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[2-chloro-4-(pyridin-3-ylmethylamino)phenyl]-2-hydroxybenzamide?
The InChIKey is QGPCKRWOXWCQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c20-13-3-6-18(25)15(8-13)19(26)24-17-5-4-14(9-16(17)21)23-11-12-2-1-7-22-10-12/h1-10,23,25H,11H2,(H,24,26).
What are the key properties of 5-chloro-N-[2-chloro-4-(pyridin-3-ylmethylamino)phenyl]-2-hydroxybenzamide?
5-chloro-N-[2-chloro-4-(pyridin-3-ylmethylamino)phenyl]-2-hydroxybenzamide has a molecular weight of 388.25 g/mol, XLogP of 4.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-chloro-4-(pyridin-3-ylmethylamino)phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 164614460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).