N-tert-butyl-2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-carboxamide

C22H23F2NO2 — CID 11793579

IUPACN-tert-butyl-2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NC(C)(C)C)CC(c2ccc(F)cc2)(c2ccc(F)cc2)O1
InChIInChI=1S/C22H23F2NO2/c1-14-19(20(26)25-21(2,3)4)13-22(27-14,15-5-9-17(23)10-6-15)16-7-11-18(24)12-8-16/h5-12H,13H2,1-4H3,(H,25,26)
InChIKeyDIVZOXORQPDUIJ-UHFFFAOYSA-N
MW371.43 g/mol
LogP4.82
Rot. Bonds3

About N-tert-butyl-2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-carboxamide

N-tert-butyl-2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-carboxamide (PubChem CID 11793579) has the molecular formula C22H23F2NO2 and a molecular weight of 371.43 g/mol. Its IUPAC name is N-tert-butyl-2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-carboxamide
PubChem CID11793579
Molecular FormulaC22H23F2NO2
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC NameN-tert-butyl-2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NC(C)(C)C)CC(c2ccc(F)cc2)(c2ccc(F)cc2)O1
InChIInChI=1S/C22H23F2NO2/c1-14-19(20(26)25-21(2,3)4)13-22(27-14,15-5-9-17(23)10-6-15)16-7-11-18(24)12-8-16/h5-12H,13H2,1-4H3,(H,25,26)
InChIKeyDIVZOXORQPDUIJ-UHFFFAOYSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
CID 57328561
4-[(2,4-difluorophenyl)methoxy]-3-(5-ethenyl-2-methylphenyl)-6-methyl-1H-pyridin-2-one
CID 69791822
4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-5-prop-2-enyl-1H-pyridin-2-one
CID 69910827
2-(4-fluorophenyl)-N,6-dimethyl-5-phenyl-3a,4-dihydro-1-benzofuran-3-carboxamide
CID 123235562
3-cyclopentyl-N-[1-ethyl-4-[(4-fluorophenyl)methoxy]-2-methylcyclohexa-2,4-dien-1-yl]propanamide
CID 143927928
1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone
CID 10523252
N-tert-butyl-5,5-bis(4-fluorophenyl)-2-hydroxy-2-methyloxolane-3-carboxamide
CID 10762918
N-benzyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
CID 10642847
N-tert-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
CID 10664528
N-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
CID 10688221
N-(2-hydroxyethyl)-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
CID 10711051
N-tert-butyl-5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide
CID 10713768

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-carboxamide?
The IUPAC name of N-tert-butyl-2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-carboxamide (CID 11793579) is N-tert-butyl-2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-carboxamide?
The canonical SMILES for N-tert-butyl-2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-carboxamide is CC1=C(C(=O)NC(C)(C)C)CC(c2ccc(F)cc2)(c2ccc(F)cc2)O1.
What is the InChIKey of N-tert-butyl-2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-carboxamide?
The InChIKey is DIVZOXORQPDUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2NO2/c1-14-19(20(26)25-21(2,3)4)13-22(27-14,15-5-9-17(23)10-6-15)16-7-11-18(24)12-8-16/h5-12H,13H2,1-4H3,(H,25,26).
What are the key properties of N-tert-butyl-2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-carboxamide?
N-tert-butyl-2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-carboxamide has a molecular weight of 371.43 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-carboxamide is sourced from PubChem (CID 11793579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).