N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide

C23H17F4N3O2 — CID 126603628

IUPACN-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide
SMILESO=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1ccccc1OC(F)(F)F
InChIInChI=1S/C23H17F4N3O2/c24-13-15-9-11-16(12-10-15)14-30-19-7-3-1-5-17(19)21(29-30)28-22(31)18-6-2-4-8-20(18)32-23(25,26)27/h1-12H,13-14H2,(H,28,29,31)
InChIKeyDXGYGYVNZVLSAL-UHFFFAOYSA-N
MW443.40 g/mol
LogP5.70
Rot. Bonds6

About N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide

N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide (PubChem CID 126603628) has the molecular formula C23H17F4N3O2 and a molecular weight of 443.40 g/mol. Its IUPAC name is N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide
PubChem CID126603628
Molecular FormulaC23H17F4N3O2
Molecular Weight443.40 g/mol
Exact Mass443.13
IUPAC NameN-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide
SMILESO=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1ccccc1OC(F)(F)F
InChIInChI=1S/C23H17F4N3O2/c24-13-15-9-11-16(12-10-15)14-30-19-7-3-1-5-17(19)21(29-30)28-22(31)18-6-2-4-8-20(18)32-23(25,26)27/h1-12H,13-14H2,(H,28,29,31)
InChIKeyDXGYGYVNZVLSAL-UHFFFAOYSA-N
XLogP5.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.40
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126603643
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
CID 118466719
3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
CID 118466718
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide
CID 118466751
N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide
CID 118335401
2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 118335413
N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 129203011
4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
CID 118326010
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide
CID 24954489
N-benzyl-2-(trifluoromethoxy)benzamide
CID 174848356
N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide
CID 123635821
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide
CID 24954488

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide (CID 126603628) is N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide is O=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide?
The InChIKey is DXGYGYVNZVLSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N3O2/c24-13-15-9-11-16(12-10-15)14-30-19-7-3-1-5-17(19)21(29-30)28-22(31)18-6-2-4-8-20(18)32-23(25,26)27/h1-12H,13-14H2,(H,28,29,31).
What are the key properties of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide?
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide has a molecular weight of 443.40 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 126603628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).