4-[1-(2-chloro-6-propan-2-yloxybenzoyl)indazol-3-yl]benzoic acid

C24H19ClN2O4 — CID 155547247

IUPAC4-[1-(2-chloro-6-propan-2-yloxybenzoyl)indazol-3-yl]benzoic acid
SMILESCC(C)Oc1cccc(Cl)c1C(=O)n1nc(-c2ccc(C(=O)O)cc2)c2ccccc21
InChIInChI=1S/C24H19ClN2O4/c1-14(2)31-20-9-5-7-18(25)21(20)23(28)27-19-8-4-3-6-17(19)22(26-27)15-10-12-16(13-11-15)24(29)30/h3-14H,1-2H3,(H,29,30)
InChIKeyLZEALWNSGYDRAC-UHFFFAOYSA-N
MW434.88 g/mol
LogP5.53
Rot. Bonds5

About 4-[1-(2-chloro-6-propan-2-yloxybenzoyl)indazol-3-yl]benzoic acid

4-[1-(2-chloro-6-propan-2-yloxybenzoyl)indazol-3-yl]benzoic acid (PubChem CID 155547247) has the molecular formula C24H19ClN2O4 and a molecular weight of 434.88 g/mol. Its IUPAC name is 4-[1-(2-chloro-6-propan-2-yloxybenzoyl)indazol-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[1-(2-chloro-6-propan-2-yloxybenzoyl)indazol-3-yl]benzoic acid
PubChem CID155547247
Molecular FormulaC24H19ClN2O4
Molecular Weight434.88 g/mol
Exact Mass434.10
IUPAC Name4-[1-(2-chloro-6-propan-2-yloxybenzoyl)indazol-3-yl]benzoic acid
SMILESCC(C)Oc1cccc(Cl)c1C(=O)n1nc(-c2ccc(C(=O)O)cc2)c2ccccc21
InChIInChI=1S/C24H19ClN2O4/c1-14(2)31-20-9-5-7-18(25)21(20)23(28)27-19-8-4-3-6-17(19)22(26-27)15-10-12-16(13-11-15)24(29)30/h3-14H,1-2H3,(H,29,30)
InChIKeyLZEALWNSGYDRAC-UHFFFAOYSA-N
XLogP5.53
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.88
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chloro-6-propan-2-yloxybenzoyl)indazol-3-yl]benzoic acid?
The IUPAC name of 4-[1-(2-chloro-6-propan-2-yloxybenzoyl)indazol-3-yl]benzoic acid (CID 155547247) is 4-[1-(2-chloro-6-propan-2-yloxybenzoyl)indazol-3-yl]benzoic acid.
What is the SMILES notation for 4-[1-(2-chloro-6-propan-2-yloxybenzoyl)indazol-3-yl]benzoic acid?
The canonical SMILES for 4-[1-(2-chloro-6-propan-2-yloxybenzoyl)indazol-3-yl]benzoic acid is CC(C)Oc1cccc(Cl)c1C(=O)n1nc(-c2ccc(C(=O)O)cc2)c2ccccc21.
What is the InChIKey of 4-[1-(2-chloro-6-propan-2-yloxybenzoyl)indazol-3-yl]benzoic acid?
The InChIKey is LZEALWNSGYDRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O4/c1-14(2)31-20-9-5-7-18(25)21(20)23(28)27-19-8-4-3-6-17(19)22(26-27)15-10-12-16(13-11-15)24(29)30/h3-14H,1-2H3,(H,29,30).
What are the key properties of 4-[1-(2-chloro-6-propan-2-yloxybenzoyl)indazol-3-yl]benzoic acid?
4-[1-(2-chloro-6-propan-2-yloxybenzoyl)indazol-3-yl]benzoic acid has a molecular weight of 434.88 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chloro-6-propan-2-yloxybenzoyl)indazol-3-yl]benzoic acid is sourced from PubChem (CID 155547247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).