2-anilino-N-(1H-indazol-7-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

C22H17F3N4O — CID 46176221

IUPAC2-anilino-N-(1H-indazol-7-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1cccc2cn[nH]c12)C(Nc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H17F3N4O/c23-22(24,25)16-11-9-14(10-12-16)20(27-17-6-2-1-3-7-17)21(30)28-18-8-4-5-15-13-26-29-19(15)18/h1-13,20,27H,(H,26,29)(H,28,30)
InChIKeyWPAQSLUJGGCAQY-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.37
Rot. Bonds5

About 2-anilino-N-(1H-indazol-7-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

2-anilino-N-(1H-indazol-7-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 46176221) has the molecular formula C22H17F3N4O and a molecular weight of 410.40 g/mol. Its IUPAC name is 2-anilino-N-(1H-indazol-7-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-anilino-N-(1H-indazol-7-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID46176221
Molecular FormulaC22H17F3N4O
Molecular Weight410.40 g/mol
Exact Mass410.14
IUPAC Name2-anilino-N-(1H-indazol-7-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1cccc2cn[nH]c12)C(Nc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H17F3N4O/c23-22(24,25)16-11-9-14(10-12-16)20(27-17-6-2-1-3-7-17)21(30)28-18-8-4-5-15-13-26-29-19(15)18/h1-13,20,27H,(H,26,29)(H,28,30)
InChIKeyWPAQSLUJGGCAQY-UHFFFAOYSA-N
XLogP5.37
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indazol-7-yl)-2-methylpropanamide
CID 31817153
2-(2-fluoroanilino)-N-isoquinolin-5-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 44631913
2-hydroxy-N-(1H-indazol-7-yl)-2,2-diphenylacetamide
CID 110885025
(2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide
CID 79012424
(2S)-2-bromo-N-(1H-indazol-7-yl)-3-methylbutanamide
CID 93266562
2-anilino-N-(1H-indol-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 46176392
(2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 2464532
3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid
CID 91953036
1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone
CID 134071873
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
2,3-difluoro-N-(1H-indazol-7-yl)benzamide
CID 62661069
N-(1H-indazol-7-yl)butanamide
CID 36575526

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(1H-indazol-7-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-anilino-N-(1H-indazol-7-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 46176221) is 2-anilino-N-(1H-indazol-7-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-anilino-N-(1H-indazol-7-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-anilino-N-(1H-indazol-7-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Nc1cccc2cn[nH]c12)C(Nc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-anilino-N-(1H-indazol-7-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WPAQSLUJGGCAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O/c23-22(24,25)16-11-9-14(10-12-16)20(27-17-6-2-1-3-7-17)21(30)28-18-8-4-5-15-13-26-29-19(15)18/h1-13,20,27H,(H,26,29)(H,28,30).
What are the key properties of 2-anilino-N-(1H-indazol-7-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
2-anilino-N-(1H-indazol-7-yl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 410.40 g/mol, XLogP of 5.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(1H-indazol-7-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 46176221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).