5-chloro-N-[2-chloro-4-[(4-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide

C19H14Cl3N3O2 — CID 162655386

IUPAC5-chloro-N-[2-chloro-4-[(4-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(NCc2cnccc2Cl)cc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C19H14Cl3N3O2/c20-12-1-4-18(26)14(7-12)19(27)25-17-3-2-13(8-16(17)22)24-10-11-9-23-6-5-15(11)21/h1-9,24,26H,10H2,(H,25,27)
InChIKeyJMHJVEDGMZCGSM-UHFFFAOYSA-N
MW422.70 g/mol
LogP5.61
Rot. Bonds5

About 5-chloro-N-[2-chloro-4-[(4-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide

5-chloro-N-[2-chloro-4-[(4-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide (PubChem CID 162655386) has the molecular formula C19H14Cl3N3O2 and a molecular weight of 422.70 g/mol. Its IUPAC name is 5-chloro-N-[2-chloro-4-[(4-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-chloro-4-[(4-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide
PubChem CID162655386
Molecular FormulaC19H14Cl3N3O2
Molecular Weight422.70 g/mol
Exact Mass421.02
IUPAC Name5-chloro-N-[2-chloro-4-[(4-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(NCc2cnccc2Cl)cc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C19H14Cl3N3O2/c20-12-1-4-18(26)14(7-12)19(27)25-17-3-2-13(8-16(17)22)24-10-11-9-23-6-5-15(11)21/h1-9,24,26H,10H2,(H,25,27)
InChIKeyJMHJVEDGMZCGSM-UHFFFAOYSA-N
XLogP5.61
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.70
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-chloropyridin-4-yl)-2-hydroxybenzamide
CID 46836254
5-chloro-N-[2-chloro-4-[(6-oxo-1H-pyridin-3-yl)methylamino]phenyl]-2-hydroxybenzamide
CID 162651278
5-chloro-2-methoxy-N-pyridin-4-ylbenzamide
CID 868972
N-(5-chloro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25218549
(E)-1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 5357374
5-chloro-2-hydroxy-N-(quinolin-8-yl)benzamide
CID 29786650
N-[4-[(6-bromo-2-pyridinyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide
CID 162653255
5-chloro-N-[2-chloro-4-(pyridin-4-ylmethylamino)phenyl]-2-hydroxybenzamide
CID 162659350
5-chloro-N-[2-chloro-4-[(2-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide
CID 162674843
2-hydroxy-N-(pyridin-4-yl)benzamide
CID 578630
5-chloro-2-hydroxy-N-(pyridin-4-yl)benzamide
CID 3011446
5-chloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 10379068

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-chloro-4-[(4-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[2-chloro-4-[(4-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide (CID 162655386) is 5-chloro-N-[2-chloro-4-[(4-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-chloro-4-[(4-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[2-chloro-4-[(4-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide is O=C(Nc1ccc(NCc2cnccc2Cl)cc1Cl)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[2-chloro-4-[(4-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide?
The InChIKey is JMHJVEDGMZCGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3N3O2/c20-12-1-4-18(26)14(7-12)19(27)25-17-3-2-13(8-16(17)22)24-10-11-9-23-6-5-15(11)21/h1-9,24,26H,10H2,(H,25,27).
What are the key properties of 5-chloro-N-[2-chloro-4-[(4-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide?
5-chloro-N-[2-chloro-4-[(4-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide has a molecular weight of 422.70 g/mol, XLogP of 5.61, 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-[(4-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 162655386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).