5-chloro-N-[2-chloro-4-(1H-indazol-6-ylmethylamino)phenyl]-2-hydroxybenzamide

C21H16Cl2N4O2 — CID 162650964

IUPAC5-chloro-N-[2-chloro-4-(1H-indazol-6-ylmethylamino)phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(NCc2ccc3cn[nH]c3c2)cc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C21H16Cl2N4O2/c22-14-3-6-20(28)16(8-14)21(29)26-18-5-4-15(9-17(18)23)24-10-12-1-2-13-11-25-27-19(13)7-12/h1-9,11,24,28H,10H2,(H,25,27)(H,26,29)
InChIKeyUHNGZOCKECIOEN-UHFFFAOYSA-N
MW427.29 g/mol
LogP5.44
Rot. Bonds5

About 5-chloro-N-[2-chloro-4-(1H-indazol-6-ylmethylamino)phenyl]-2-hydroxybenzamide

5-chloro-N-[2-chloro-4-(1H-indazol-6-ylmethylamino)phenyl]-2-hydroxybenzamide (PubChem CID 162650964) has the molecular formula C21H16Cl2N4O2 and a molecular weight of 427.29 g/mol. Its IUPAC name is 5-chloro-N-[2-chloro-4-(1H-indazol-6-ylmethylamino)phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-chloro-4-(1H-indazol-6-ylmethylamino)phenyl]-2-hydroxybenzamide
PubChem CID162650964
Molecular FormulaC21H16Cl2N4O2
Molecular Weight427.29 g/mol
Exact Mass426.07
IUPAC Name5-chloro-N-[2-chloro-4-(1H-indazol-6-ylmethylamino)phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(NCc2ccc3cn[nH]c3c2)cc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C21H16Cl2N4O2/c22-14-3-6-20(28)16(8-14)21(29)26-18-5-4-15(9-17(18)23)24-10-12-1-2-13-11-25-27-19(13)7-12/h1-9,11,24,28H,10H2,(H,25,27)(H,26,29)
InChIKeyUHNGZOCKECIOEN-UHFFFAOYSA-N
XLogP5.44
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 55.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-hydroxyphenyl)-1H-indazole-6-carboxamide
CID 63937924
N-(1-benzoylindazol-5-yl)-5-chloro-2-hydroxybenzamide
CID 162654219
3-[4-[(5-Chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoic acid
CID 162645379
5-chloro-2-hydroxy-N-(1H-indazol-6-yl)benzamide
CID 162648074
5-chloro-2-hydroxy-N-(1H-indazol-4-yl)benzamide
CID 162651675
5-chloro-2-hydroxy-N-(1H-indazol-5-yl)benzamide
CID 162652371
5-chloro-2-hydroxy-N-[2-(2-hydroxyethyl)indazol-4-yl]benzamide
CID 162653217
5-chloro-N-[1-(2,6-dichlorobenzoyl)indazol-4-yl]-2-hydroxybenzamide
CID 162656144
5-chloro-N-[2-[2-(dimethylamino)-2-oxoethyl]indazol-4-yl]-2-hydroxybenzamide
CID 162657961
Methyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-1-yl]propanoate
CID 162659487
5-chloro-2-hydroxy-N-(1H-indazol-7-yl)benzamide
CID 162660955
5-chloro-N-[1-[4-(dimethylamino)benzoyl]indazol-4-yl]-2-hydroxybenzamide
CID 162662158

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-chloro-4-(1H-indazol-6-ylmethylamino)phenyl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[2-chloro-4-(1H-indazol-6-ylmethylamino)phenyl]-2-hydroxybenzamide (CID 162650964) is 5-chloro-N-[2-chloro-4-(1H-indazol-6-ylmethylamino)phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-chloro-4-(1H-indazol-6-ylmethylamino)phenyl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[2-chloro-4-(1H-indazol-6-ylmethylamino)phenyl]-2-hydroxybenzamide is O=C(Nc1ccc(NCc2ccc3cn[nH]c3c2)cc1Cl)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[2-chloro-4-(1H-indazol-6-ylmethylamino)phenyl]-2-hydroxybenzamide?
The InChIKey is UHNGZOCKECIOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O2/c22-14-3-6-20(28)16(8-14)21(29)26-18-5-4-15(9-17(18)23)24-10-12-1-2-13-11-25-27-19(13)7-12/h1-9,11,24,28H,10H2,(H,25,27)(H,26,29).
What are the key properties of 5-chloro-N-[2-chloro-4-(1H-indazol-6-ylmethylamino)phenyl]-2-hydroxybenzamide?
5-chloro-N-[2-chloro-4-(1H-indazol-6-ylmethylamino)phenyl]-2-hydroxybenzamide has a molecular weight of 427.29 g/mol, XLogP of 5.44, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-chloro-4-(1H-indazol-6-ylmethylamino)phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 162650964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).