4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]ethyl]benzamide

C26H27N3O — CID 175244935

IUPAC4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]ethyl]benzamide
SMILESCC(c1ccc(C(N)=O)cc1)n1cc2cc(-c3ccc(C(C)(C)C)cc3)ccc2n1
InChIInChI=1S/C26H27N3O/c1-17(18-5-7-20(8-6-18)25(27)30)29-16-22-15-21(11-14-24(22)28-29)19-9-12-23(13-10-19)26(2,3)4/h5-17H,1-4H3,(H2,27,30)
InChIKeyNTWDUJLRDFIYPH-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.71
Rot. Bonds4

About 4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]ethyl]benzamide

4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]ethyl]benzamide (PubChem CID 175244935) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]ethyl]benzamide
PubChem CID175244935
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]ethyl]benzamide
SMILESCC(c1ccc(C(N)=O)cc1)n1cc2cc(-c3ccc(C(C)(C)C)cc3)ccc2n1
InChIInChI=1S/C26H27N3O/c1-17(18-5-7-20(8-6-18)25(27)30)29-16-22-15-21(11-14-24(22)28-29)19-9-12-23(13-10-19)26(2,3)4/h5-17H,1-4H3,(H2,27,30)
InChIKeyNTWDUJLRDFIYPH-UHFFFAOYSA-N
XLogP5.71
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-2-[4-(2-propan-2-ylindazol-5-yl)phenyl]acetamide
CID 144811408
4-[1-[4-(4-tert-butylphenyl)anilino]-3-methylbutyl]benzamide
CID 141172178
5-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]pyridine-2-carboxamide
CID 175245020
4-[2-(3-hydroxy-3-methylbutyl)indazol-6-yl]benzamide
CID 176659651
2-nonan-3-ylindazole-5-carboxamide
CID 175937142
2-ethylindazole-5-carboxamide
CID 142796121
4-(3,4-dichlorophenyl)benzamide
CID 141087497
4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731138
4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide
CID 18124565
4-(1-hydroxyethyl)benzamide
CID 22716490
2-propan-2-ylindazol-5-ol
CID 84717775
4-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 102174990

Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]ethyl]benzamide (CID 175244935) is 4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]ethyl]benzamide is CC(c1ccc(C(N)=O)cc1)n1cc2cc(-c3ccc(C(C)(C)C)cc3)ccc2n1.
What is the InChIKey of 4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]ethyl]benzamide?
The InChIKey is NTWDUJLRDFIYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-17(18-5-7-20(8-6-18)25(27)30)29-16-22-15-21(11-14-24(22)28-29)19-9-12-23(13-10-19)26(2,3)4/h5-17H,1-4H3,(H2,27,30).
What are the key properties of 4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]ethyl]benzamide?
4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]ethyl]benzamide has a molecular weight of 397.52 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 175244935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).