2-fluoro-N-[1-[2-(3-methoxyphenyl)-2-oxoacetyl]indazol-6-yl]-6-(trifluoromethyl)benzamide

C24H15F4N3O4 — CID 123254360

IUPAC2-fluoro-N-[1-[2-(3-methoxyphenyl)-2-oxoacetyl]indazol-6-yl]-6-(trifluoromethyl)benzamide
SMILESCOc1cccc(C(=O)C(=O)n2ncc3ccc(NC(=O)c4c(F)cccc4C(F)(F)F)cc32)c1
InChIInChI=1S/C24H15F4N3O4/c1-35-16-5-2-4-13(10-16)21(32)23(34)31-19-11-15(9-8-14(19)12-29-31)30-22(33)20-17(24(26,27)28)6-3-7-18(20)25/h2-12H,1H3,(H,30,33)
InChIKeyTZMXTILCKNLZEK-UHFFFAOYSA-N
MW485.39 g/mol
LogP4.98
Rot. Bonds5

About 2-fluoro-N-[1-[2-(3-methoxyphenyl)-2-oxoacetyl]indazol-6-yl]-6-(trifluoromethyl)benzamide

2-fluoro-N-[1-[2-(3-methoxyphenyl)-2-oxoacetyl]indazol-6-yl]-6-(trifluoromethyl)benzamide (PubChem CID 123254360) has the molecular formula C24H15F4N3O4 and a molecular weight of 485.39 g/mol. Its IUPAC name is 2-fluoro-N-[1-[2-(3-methoxyphenyl)-2-oxoacetyl]indazol-6-yl]-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[2-(3-methoxyphenyl)-2-oxoacetyl]indazol-6-yl]-6-(trifluoromethyl)benzamide
PubChem CID123254360
Molecular FormulaC24H15F4N3O4
Molecular Weight485.39 g/mol
Exact Mass485.10
IUPAC Name2-fluoro-N-[1-[2-(3-methoxyphenyl)-2-oxoacetyl]indazol-6-yl]-6-(trifluoromethyl)benzamide
SMILESCOc1cccc(C(=O)C(=O)n2ncc3ccc(NC(=O)c4c(F)cccc4C(F)(F)F)cc32)c1
InChIInChI=1S/C24H15F4N3O4/c1-35-16-5-2-4-13(10-16)21(32)23(34)31-19-11-15(9-8-14(19)12-29-31)30-22(33)20-17(24(26,27)28)6-3-7-18(20)25/h2-12H,1H3,(H,30,33)
InChIKeyTZMXTILCKNLZEK-UHFFFAOYSA-N
XLogP4.98
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.39
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-(1-methylindazol-6-yl)benzamide
CID 110462740
3-methoxy-N-(1-methylindol-5-yl)benzamide
CID 110867789
1-(4-chlorophenyl)-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46827913
2-fluoro-4-[(3-methoxybenzoyl)amino]benzoic acid
CID 103791449
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113023123
3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 11619091
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methoxybenzamide
CID 47049179
2-fluoro-5-[(3-methoxybenzoyl)amino]benzamide
CID 39215128
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide
CID 115678058
(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707522
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[2-(3-methoxyphenyl)-2-oxoacetyl]indazol-6-yl]-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[1-[2-(3-methoxyphenyl)-2-oxoacetyl]indazol-6-yl]-6-(trifluoromethyl)benzamide (CID 123254360) is 2-fluoro-N-[1-[2-(3-methoxyphenyl)-2-oxoacetyl]indazol-6-yl]-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[1-[2-(3-methoxyphenyl)-2-oxoacetyl]indazol-6-yl]-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[1-[2-(3-methoxyphenyl)-2-oxoacetyl]indazol-6-yl]-6-(trifluoromethyl)benzamide is COc1cccc(C(=O)C(=O)n2ncc3ccc(NC(=O)c4c(F)cccc4C(F)(F)F)cc32)c1.
What is the InChIKey of 2-fluoro-N-[1-[2-(3-methoxyphenyl)-2-oxoacetyl]indazol-6-yl]-6-(trifluoromethyl)benzamide?
The InChIKey is TZMXTILCKNLZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F4N3O4/c1-35-16-5-2-4-13(10-16)21(32)23(34)31-19-11-15(9-8-14(19)12-29-31)30-22(33)20-17(24(26,27)28)6-3-7-18(20)25/h2-12H,1H3,(H,30,33).
What are the key properties of 2-fluoro-N-[1-[2-(3-methoxyphenyl)-2-oxoacetyl]indazol-6-yl]-6-(trifluoromethyl)benzamide?
2-fluoro-N-[1-[2-(3-methoxyphenyl)-2-oxoacetyl]indazol-6-yl]-6-(trifluoromethyl)benzamide has a molecular weight of 485.39 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[2-(3-methoxyphenyl)-2-oxoacetyl]indazol-6-yl]-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 123254360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).