N-[4-[(6-bromo-2-pyridinyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide

C19H14BrCl2N3O2 — CID 162653255

IUPACN-[4-[(6-bromo-2-pyridinyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide
SMILESO=C(Nc1ccc(NCc2cccc(Br)n2)cc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C19H14BrCl2N3O2/c20-18-3-1-2-13(24-18)10-23-12-5-6-16(15(22)9-12)25-19(27)14-8-11(21)4-7-17(14)26/h1-9,23,26H,10H2,(H,25,27)
InChIKeyPVJNXJBFJKTDCI-UHFFFAOYSA-N
MW467.15 g/mol
LogP5.72
Rot. Bonds5

About N-[4-[(6-bromo-2-pyridinyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide

N-[4-[(6-bromo-2-pyridinyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide (PubChem CID 162653255) has the molecular formula C19H14BrCl2N3O2 and a molecular weight of 467.15 g/mol. Its IUPAC name is N-[4-[(6-bromo-2-pyridinyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-[(6-bromo-2-pyridinyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide
PubChem CID162653255
Molecular FormulaC19H14BrCl2N3O2
Molecular Weight467.15 g/mol
Exact Mass464.96
IUPAC NameN-[4-[(6-bromo-2-pyridinyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide
SMILESO=C(Nc1ccc(NCc2cccc(Br)n2)cc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C19H14BrCl2N3O2/c20-18-3-1-2-13(24-18)10-23-12-5-6-16(15(22)9-12)25-19(27)14-8-11(21)4-7-17(14)26/h1-9,23,26H,10H2,(H,25,27)
InChIKeyPVJNXJBFJKTDCI-UHFFFAOYSA-N
XLogP5.72
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.15
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[(6-bromo-2-pyridinyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[2-chloro-4-[(4-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide
CID 162655386
5-chloro-N-[2-chloro-4-(pyridin-4-ylmethylamino)phenyl]-2-hydroxybenzamide
CID 162659350
N-[4-[(4-bromophenyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide
CID 162661131
5-chloro-N-[2-chloro-4-[(2-chloro-3-pyridinyl)methylamino]phenyl]-2-hydroxybenzamide
CID 162674843
5-chloro-N-[2-chloro-4-(pyridin-3-ylmethylamino)phenyl]-2-hydroxybenzamide
CID 164614460
5-chloro-N-[2-chloro-6-(trifluoromethyl)pyridin-3-yl]-2-hydroxybenzamide
CID 124159738
5-chloro-N-(2,6-dichloro-3-pyridinyl)-2-hydroxybenzamide
CID 168876078
5-chloro-2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 47340819
3,6-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 60571926
5-chloro-N-(2,6-dimethyl-3-pyridinyl)-2-hydroxybenzamide
CID 80091605
5-chloro-N-ethyl-2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 80185410
N-(3-bromo-4-pyridinyl)-5-chloro-2-hydroxybenzamide
CID 81758267

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-bromo-2-pyridinyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-[4-[(6-bromo-2-pyridinyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide (CID 162653255) is N-[4-[(6-bromo-2-pyridinyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[4-[(6-bromo-2-pyridinyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[4-[(6-bromo-2-pyridinyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide is O=C(Nc1ccc(NCc2cccc(Br)n2)cc1Cl)c1cc(Cl)ccc1O.
What is the InChIKey of N-[4-[(6-bromo-2-pyridinyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide?
The InChIKey is PVJNXJBFJKTDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrCl2N3O2/c20-18-3-1-2-13(24-18)10-23-12-5-6-16(15(22)9-12)25-19(27)14-8-11(21)4-7-17(14)26/h1-9,23,26H,10H2,(H,25,27).
What are the key properties of N-[4-[(6-bromo-2-pyridinyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide?
N-[4-[(6-bromo-2-pyridinyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide has a molecular weight of 467.15 g/mol, XLogP of 5.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-bromo-2-pyridinyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 162653255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).