N-(1-tert-butyl-3-phenylindazol-4-yl)furan-2-carboxamide

C22H21N3O2 — CID 54328802

IUPACN-(1-tert-butyl-3-phenylindazol-4-yl)furan-2-carboxamide
SMILESCC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)c3ccco3)cccc21
InChIInChI=1S/C22H21N3O2/c1-22(2,3)25-17-12-7-11-16(23-21(26)18-13-8-14-27-18)19(17)20(24-25)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,23,26)
InChIKeySWWCMTOUXCCCOH-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.30
Rot. Bonds3

About N-(1-tert-butyl-3-phenylindazol-4-yl)furan-2-carboxamide

N-(1-tert-butyl-3-phenylindazol-4-yl)furan-2-carboxamide (PubChem CID 54328802) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(1-tert-butyl-3-phenylindazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butyl-3-phenylindazol-4-yl)furan-2-carboxamide
PubChem CID54328802
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(1-tert-butyl-3-phenylindazol-4-yl)furan-2-carboxamide
SMILESCC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)c3ccco3)cccc21
InChIInChI=1S/C22H21N3O2/c1-22(2,3)25-17-12-7-11-16(23-21(26)18-13-8-14-27-18)19(17)20(24-25)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,23,26)
InChIKeySWWCMTOUXCCCOH-UHFFFAOYSA-N
XLogP5.30
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
N-(3-amino-2-methylphenyl)furan-2-carboxamide
CID 16775861
N-(3-hydroxy-2-methylphenyl)furan-2-carboxamide
CID 64792711
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274
4-(furan-2-carbonylamino)-1-methylpyrazole-5-carboxylic acid
CID 19406055
N-(4-methyl-2-phenylphenyl)furan-2-carboxamide
CID 110443419
N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide
CID 39184130
N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 727485
N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide
CID 25282897
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
3-[3-(furan-2-carbonylamino)phenyl]-1-(oxan-2-yl)indazole-4-carboxamide
CID 90840324
N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 2993149

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-3-phenylindazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-(1-tert-butyl-3-phenylindazol-4-yl)furan-2-carboxamide (CID 54328802) is N-(1-tert-butyl-3-phenylindazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-(1-tert-butyl-3-phenylindazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-(1-tert-butyl-3-phenylindazol-4-yl)furan-2-carboxamide is CC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)c3ccco3)cccc21.
What is the InChIKey of N-(1-tert-butyl-3-phenylindazol-4-yl)furan-2-carboxamide?
The InChIKey is SWWCMTOUXCCCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-22(2,3)25-17-12-7-11-16(23-21(26)18-13-8-14-27-18)19(17)20(24-25)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,23,26).
What are the key properties of N-(1-tert-butyl-3-phenylindazol-4-yl)furan-2-carboxamide?
N-(1-tert-butyl-3-phenylindazol-4-yl)furan-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-3-phenylindazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 54328802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).