4-[(5-chloro-2-hydroxybenzoyl)amino]-N,N-dimethylindazole-2-carboxamide

C17H15ClN4O3 — CID 162645164

IUPAC4-[(5-chloro-2-hydroxybenzoyl)amino]-N,N-dimethylindazole-2-carboxamide
SMILESCN(C)C(=O)n1cc2c(NC(=O)c3cc(Cl)ccc3O)cccc2n1
InChIInChI=1S/C17H15ClN4O3/c1-21(2)17(25)22-9-12-13(4-3-5-14(12)20-22)19-16(24)11-8-10(18)6-7-15(11)23/h3-9,23H,1-2H3,(H,19,24)
InChIKeyBCBVYRWBCVSCCC-UHFFFAOYSA-N
MW358.79 g/mol
LogP3.18
Rot. Bonds2

About 4-[(5-chloro-2-hydroxybenzoyl)amino]-N,N-dimethylindazole-2-carboxamide

4-[(5-chloro-2-hydroxybenzoyl)amino]-N,N-dimethylindazole-2-carboxamide (PubChem CID 162645164) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is 4-[(5-chloro-2-hydroxybenzoyl)amino]-N,N-dimethylindazole-2-carboxamide.

Molecular Properties

Compound Name4-[(5-chloro-2-hydroxybenzoyl)amino]-N,N-dimethylindazole-2-carboxamide
PubChem CID162645164
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name4-[(5-chloro-2-hydroxybenzoyl)amino]-N,N-dimethylindazole-2-carboxamide
SMILESCN(C)C(=O)n1cc2c(NC(=O)c3cc(Cl)ccc3O)cccc2n1
InChIInChI=1S/C17H15ClN4O3/c1-21(2)17(25)22-9-12-13(4-3-5-14(12)20-22)19-16(24)11-8-10(18)6-7-15(11)23/h3-9,23H,1-2H3,(H,19,24)
InChIKeyBCBVYRWBCVSCCC-UHFFFAOYSA-N
XLogP3.18
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-hydroxybenzoyl)amino]-N,N-dimethylindazole-2-carboxamide?
The IUPAC name of 4-[(5-chloro-2-hydroxybenzoyl)amino]-N,N-dimethylindazole-2-carboxamide (CID 162645164) is 4-[(5-chloro-2-hydroxybenzoyl)amino]-N,N-dimethylindazole-2-carboxamide.
What is the SMILES notation for 4-[(5-chloro-2-hydroxybenzoyl)amino]-N,N-dimethylindazole-2-carboxamide?
The canonical SMILES for 4-[(5-chloro-2-hydroxybenzoyl)amino]-N,N-dimethylindazole-2-carboxamide is CN(C)C(=O)n1cc2c(NC(=O)c3cc(Cl)ccc3O)cccc2n1.
What is the InChIKey of 4-[(5-chloro-2-hydroxybenzoyl)amino]-N,N-dimethylindazole-2-carboxamide?
The InChIKey is BCBVYRWBCVSCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-21(2)17(25)22-9-12-13(4-3-5-14(12)20-22)19-16(24)11-8-10(18)6-7-15(11)23/h3-9,23H,1-2H3,(H,19,24).
What are the key properties of 4-[(5-chloro-2-hydroxybenzoyl)amino]-N,N-dimethylindazole-2-carboxamide?
4-[(5-chloro-2-hydroxybenzoyl)amino]-N,N-dimethylindazole-2-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-hydroxybenzoyl)amino]-N,N-dimethylindazole-2-carboxamide is sourced from PubChem (CID 162645164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).