2,5-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide

C22H14F5N3O — CID 118335324

IUPAC2,5-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cc(F)ccc1F
InChIInChI=1S/C22H14F5N3O/c23-15-9-10-18(24)17(11-15)21(31)28-20-16-3-1-2-4-19(16)30(29-20)12-13-5-7-14(8-6-13)22(25,26)27/h1-11H,12H2,(H,28,29,31)
InChIKeyBGRCIXBKXDQUGK-UHFFFAOYSA-N
MW431.36 g/mol
LogP5.63
Rot. Bonds4

About 2,5-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide

2,5-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (PubChem CID 118335324) has the molecular formula C22H14F5N3O and a molecular weight of 431.36 g/mol. Its IUPAC name is 2,5-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
PubChem CID118335324
Molecular FormulaC22H14F5N3O
Molecular Weight431.36 g/mol
Exact Mass431.11
IUPAC Name2,5-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cc(F)ccc1F
InChIInChI=1S/C22H14F5N3O/c23-15-9-10-18(24)17(11-15)21(31)28-20-16-3-1-2-4-19(16)30(29-20)12-13-5-7-14(8-6-13)22(25,26)27/h1-11H,12H2,(H,28,29,31)
InChIKeyBGRCIXBKXDQUGK-UHFFFAOYSA-N
XLogP5.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.36
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
7-[2-(Prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983736
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167
3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 1510447
N-(4-fluoro-1-methyl-1H-indazol-3-yl)-4-methylbenzamide
CID 2742951
2-(1-adamantyl)-N-(4-fluoro-1-methyl-1H-indazol-3-yl)acetamide
CID 2810249
4-chloro-N-[4-(dimethylamino)-1-methyl-1H-indazol-3-yl]benzamide
CID 2813216
N-[4-(dimethylamino)-1-methyl-1H-indazol-3-yl]-4-fluorobenzamide
CID 2813217
N-(2,5-Diphenyl-2H-pyrazol-3-yl)-3-fluoro-benzamide
CID 11451163
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide
CID 11222596
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 11246786

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The IUPAC name of 2,5-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (CID 118335324) is 2,5-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The InChIKey is BGRCIXBKXDQUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F5N3O/c23-15-9-10-18(24)17(11-15)21(31)28-20-16-3-1-2-4-19(16)30(29-20)12-13-5-7-14(8-6-13)22(25,26)27/h1-11H,12H2,(H,28,29,31).
What are the key properties of 2,5-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
2,5-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide has a molecular weight of 431.36 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is sourced from PubChem (CID 118335324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).