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

C19H14Cl3N3O2 — CID 162674843

IUPAC5-chloro-N-[2-chloro-4-[(2-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(NCc2cccnc2Cl)cc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C19H14Cl3N3O2/c20-12-3-6-17(26)14(8-12)19(27)25-16-5-4-13(9-15(16)21)24-10-11-2-1-7-23-18(11)22/h1-9,24,26H,10H2,(H,25,27)
InChIKeyOCTPEJDVZJAROB-UHFFFAOYSA-N
MW422.70 g/mol
LogP5.61
Rot. Bonds5

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

5-chloro-N-[2-chloro-4-[(2-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide (PubChem CID 162674843) has the molecular formula C19H14Cl3N3O2 and a molecular weight of 422.70 g/mol. Its IUPAC name is 5-chloro-N-[2-chloro-4-[(2-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-chloro-4-[(2-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide
PubChem CID162674843
Molecular FormulaC19H14Cl3N3O2
Molecular Weight422.70 g/mol
Exact Mass421.02
IUPAC Name5-chloro-N-[2-chloro-4-[(2-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(NCc2cccnc2Cl)cc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C19H14Cl3N3O2/c20-12-3-6-17(26)14(8-12)19(27)25-16-5-4-13(9-15(16)21)24-10-11-2-1-7-23-18(11)22/h1-9,24,26H,10H2,(H,25,27)
InChIKeyOCTPEJDVZJAROB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-chloro-4-[(2-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[2-chloro-4-[(2-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide (CID 162674843) is 5-chloro-N-[2-chloro-4-[(2-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-chloro-4-[(2-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[2-chloro-4-[(2-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide is O=C(Nc1ccc(NCc2cccnc2Cl)cc1Cl)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[2-chloro-4-[(2-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide?
The InChIKey is OCTPEJDVZJAROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3N3O2/c20-12-3-6-17(26)14(8-12)19(27)25-16-5-4-13(9-15(16)21)24-10-11-2-1-7-23-18(11)22/h1-9,24,26H,10H2,(H,25,27).
What are the key properties of 5-chloro-N-[2-chloro-4-[(2-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide?
5-chloro-N-[2-chloro-4-[(2-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-[(2-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 162674843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).