8-[(2-chloro-4-methoxybenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

C26H20ClFN4O3 — CID 10163479

IUPAC8-[(2-chloro-4-methoxybenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)-c2c(c(C(N)=O)nn2-c2ccc(F)cc2)CC3)c(Cl)c1
InChIInChI=1S/C26H20ClFN4O3/c1-35-18-9-11-19(22(27)13-18)26(34)30-16-6-2-14-3-10-20-23(25(29)33)31-32(24(20)21(14)12-16)17-7-4-15(28)5-8-17/h2,4-9,11-13H,3,10H2,1H3,(H2,29,33)(H,30,34)
InChIKeyFZNQOPZNRGQZIH-UHFFFAOYSA-N
MW490.92 g/mol
LogP4.79
Rot. Bonds5

About 8-[(2-chloro-4-methoxybenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

8-[(2-chloro-4-methoxybenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 10163479) has the molecular formula C26H20ClFN4O3 and a molecular weight of 490.92 g/mol. Its IUPAC name is 8-[(2-chloro-4-methoxybenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-[(2-chloro-4-methoxybenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID10163479
Molecular FormulaC26H20ClFN4O3
Molecular Weight490.92 g/mol
Exact Mass490.12
IUPAC Name8-[(2-chloro-4-methoxybenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)-c2c(c(C(N)=O)nn2-c2ccc(F)cc2)CC3)c(Cl)c1
InChIInChI=1S/C26H20ClFN4O3/c1-35-18-9-11-19(22(27)13-18)26(34)30-16-6-2-14-3-10-20-23(25(29)33)31-32(24(20)21(14)12-16)17-7-4-15(28)5-8-17/h2,4-9,11-13H,3,10H2,1H3,(H2,29,33)(H,30,34)
InChIKeyFZNQOPZNRGQZIH-UHFFFAOYSA-N
XLogP4.79
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.92
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-chloro-4-methoxybenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-[(2-chloro-4-methoxybenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 10163479) is 8-[(2-chloro-4-methoxybenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-[(2-chloro-4-methoxybenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-[(2-chloro-4-methoxybenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is COc1ccc(C(=O)Nc2ccc3c(c2)-c2c(c(C(N)=O)nn2-c2ccc(F)cc2)CC3)c(Cl)c1.
What is the InChIKey of 8-[(2-chloro-4-methoxybenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is FZNQOPZNRGQZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN4O3/c1-35-18-9-11-19(22(27)13-18)26(34)30-16-6-2-14-3-10-20-23(25(29)33)31-32(24(20)21(14)12-16)17-7-4-15(28)5-8-17/h2,4-9,11-13H,3,10H2,1H3,(H2,29,33)(H,30,34).
What are the key properties of 8-[(2-chloro-4-methoxybenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-[(2-chloro-4-methoxybenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 490.92 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chloro-4-methoxybenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10163479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).