3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoic acid

C17H14ClN3O4 — CID 162645379

IUPAC3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoic acid
SMILESO=C(O)CCn1cc2c(NC(=O)c3cc(Cl)ccc3O)cccc2n1
InChIInChI=1S/C17H14ClN3O4/c18-10-4-5-15(22)11(8-10)17(25)19-13-2-1-3-14-12(13)9-21(20-14)7-6-16(23)24/h1-5,8-9,22H,6-7H2,(H,19,25)(H,23,24)
InChIKeyMBTINSQMSNZAQP-UHFFFAOYSA-N
MW359.77 g/mol
LogP3.12
Rot. Bonds5

About 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoic acid

3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoic acid (PubChem CID 162645379) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoic acid
PubChem CID162645379
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC Name3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoic acid
SMILESO=C(O)CCn1cc2c(NC(=O)c3cc(Cl)ccc3O)cccc2n1
InChIInChI=1S/C17H14ClN3O4/c18-10-4-5-15(22)11(8-10)17(25)19-13-2-1-3-14-12(13)9-21(20-14)7-6-16(23)24/h1-5,8-9,22H,6-7H2,(H,19,25)(H,23,24)
InChIKeyMBTINSQMSNZAQP-UHFFFAOYSA-N
XLogP3.12
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-hydroxy-N'-[(1E)-1H-indol-3-ylmethylene]benzohydrazide
CID 135716872
5-chloro-N-[2-chloro-4-(1H-indazol-6-ylmethylamino)phenyl]-2-hydroxybenzamide
CID 162650964
N-(1-benzoylindazol-5-yl)-5-chloro-2-hydroxybenzamide
CID 162654219
5-chloro-2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 45838541
5-chloro-2-hydroxy-N-(1H-indol-4-yl)benzamide
CID 54413444
4-[(5-chloro-2-hydroxybenzoyl)amino]-N,N-dimethylindazole-2-carboxamide
CID 162645164
4-[(5-chloro-2-hydroxybenzoyl)amino]-N-(4-methoxyphenyl)indazole-1-carboxamide
CID 162646382
5-chloro-2-hydroxy-N-(1H-indazol-6-yl)benzamide
CID 162648074
N-(1-benzoylindol-5-yl)-5-chloro-2-hydroxybenzamide
CID 162648350
5-chloro-2-hydroxy-N-(1H-indazol-4-yl)benzamide
CID 162651675
5-chloro-2-hydroxy-N-(1H-indazol-5-yl)benzamide
CID 162652371
Methyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoate
CID 162652629

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoic acid?
The IUPAC name of 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoic acid (CID 162645379) is 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoic acid?
The canonical SMILES for 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoic acid is O=C(O)CCn1cc2c(NC(=O)c3cc(Cl)ccc3O)cccc2n1.
What is the InChIKey of 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoic acid?
The InChIKey is MBTINSQMSNZAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c18-10-4-5-15(22)11(8-10)17(25)19-13-2-1-3-14-12(13)9-21(20-14)7-6-16(23)24/h1-5,8-9,22H,6-7H2,(H,19,25)(H,23,24).
What are the key properties of 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoic acid?
3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoic acid has a molecular weight of 359.77 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoic acid is sourced from PubChem (CID 162645379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).