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

C22H23Cl2NO2 — CID 10787384

IUPACN-tert-butyl-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NC(C)(C)C)CC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C22H23Cl2NO2/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)
InChIKeyIXRXKSNTOXBFAM-UHFFFAOYSA-N
MW404.34 g/mol
LogP5.85
Rot. Bonds3

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

N-tert-butyl-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxamide (PubChem CID 10787384) has the molecular formula C22H23Cl2NO2 and a molecular weight of 404.34 g/mol. Its IUPAC name is N-tert-butyl-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxamide
PubChem CID10787384
Molecular FormulaC22H23Cl2NO2
Molecular Weight404.34 g/mol
Exact Mass403.11
IUPAC NameN-tert-butyl-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxamide
SMILESCC1=C(C(=O)NC(C)(C)C)CC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C22H23Cl2NO2/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)
InChIKeyIXRXKSNTOXBFAM-UHFFFAOYSA-N
XLogP5.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.34
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-carboxamide
CID 11793579
4-[4-(4-Chlorophenyl)phenyl]-4-methoxypentanamide
CID 91244965
N-tert-butyl-5,5-bis(4-chlorophenyl)-2-hydroxy-2-methyloxolane-3-carboxamide
CID 10645884
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-tert-butyl-5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide
CID 10713768
1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone
CID 10739952
N-[2-[[2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carbonyl]amino]ethyl]-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxamide
CID 11571255
4-(4-chlorophenyl)-N-(2-methyl-1-phenylmethoxypropan-2-yl)butanamide
CID 84420475
(5Z)-5-benzylidene-4-(4-chlorophenyl)-2,4-dimethylfuran-3-carboxamide
CID 101901643
N-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-phenyloxan-4-yl]cyclopentanecarboxamide
CID 110135258
N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]cyclopentanecarboxamide
CID 110135260

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxamide?
The IUPAC name of N-tert-butyl-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxamide (CID 10787384) is N-tert-butyl-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxamide?
The canonical SMILES for N-tert-butyl-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxamide is CC1=C(C(=O)NC(C)(C)C)CC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)O1.
What is the InChIKey of N-tert-butyl-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxamide?
The InChIKey is IXRXKSNTOXBFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2NO2/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-chlorophenyl)-5-methyl-3H-furan-4-carboxamide?
N-tert-butyl-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxamide has a molecular weight of 404.34 g/mol, XLogP of 5.85, 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-chlorophenyl)-5-methyl-3H-furan-4-carboxamide is sourced from PubChem (CID 10787384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).