4-(2-amino-2-oxoethoxy)-3-chloro-N-(1H-indazol-7-yl)-5-methoxybenzamide

C17H15ClN4O4 — CID 24669351

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-N-(1H-indazol-7-yl)-5-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc3cn[nH]c23)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C17H15ClN4O4/c1-25-13-6-10(5-11(18)16(13)26-8-14(19)23)17(24)21-12-4-2-3-9-7-20-22-15(9)12/h2-7H,8H2,1H3,(H2,19,23)(H,20,22)(H,21,24)
InChIKeySMFPUVFKEMBZPU-UHFFFAOYSA-N
MW374.78 g/mol
LogP2.34
Rot. Bonds6

About 4-(2-amino-2-oxoethoxy)-3-chloro-N-(1H-indazol-7-yl)-5-methoxybenzamide

4-(2-amino-2-oxoethoxy)-3-chloro-N-(1H-indazol-7-yl)-5-methoxybenzamide (PubChem CID 24669351) has the molecular formula C17H15ClN4O4 and a molecular weight of 374.78 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-N-(1H-indazol-7-yl)-5-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-N-(1H-indazol-7-yl)-5-methoxybenzamide
PubChem CID24669351
Molecular FormulaC17H15ClN4O4
Molecular Weight374.78 g/mol
Exact Mass374.08
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-N-(1H-indazol-7-yl)-5-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc3cn[nH]c23)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C17H15ClN4O4/c1-25-13-6-10(5-11(18)16(13)26-8-14(19)23)17(24)21-12-4-2-3-9-7-20-22-15(9)12/h2-7H,8H2,1H3,(H2,19,23)(H,20,22)(H,21,24)
InChIKeySMFPUVFKEMBZPU-UHFFFAOYSA-N
XLogP2.34
TPSA119.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-(1H-indazol-7-yl)-5-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-(1H-indazol-7-yl)-5-methoxybenzamide (CID 24669351) is 4-(2-amino-2-oxoethoxy)-3-chloro-N-(1H-indazol-7-yl)-5-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-N-(1H-indazol-7-yl)-5-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-N-(1H-indazol-7-yl)-5-methoxybenzamide is COc1cc(C(=O)Nc2cccc3cn[nH]c23)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-N-(1H-indazol-7-yl)-5-methoxybenzamide?
The InChIKey is SMFPUVFKEMBZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O4/c1-25-13-6-10(5-11(18)16(13)26-8-14(19)23)17(24)21-12-4-2-3-9-7-20-22-15(9)12/h2-7H,8H2,1H3,(H2,19,23)(H,20,22)(H,21,24).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-N-(1H-indazol-7-yl)-5-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-3-chloro-N-(1H-indazol-7-yl)-5-methoxybenzamide has a molecular weight of 374.78 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-chloro-N-(1H-indazol-7-yl)-5-methoxybenzamide is sourced from PubChem (CID 24669351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).