1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone

C22H23Cl2NO2 — CID 10739952

IUPAC1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(NC(C)(C)C)OC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H23Cl2NO2/c1-14(26)19-13-22(15-5-9-17(23)10-6-15,16-7-11-18(24)12-8-16)27-20(19)25-21(2,3)4/h5-12,25H,13H2,1-4H3
InChIKeyALAMLGWQDQXDHT-UHFFFAOYSA-N
MW404.34 g/mol
LogP5.85
Rot. Bonds4

About 1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone

1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone (PubChem CID 10739952) has the molecular formula C22H23Cl2NO2 and a molecular weight of 404.34 g/mol. Its IUPAC name is 1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone
PubChem CID10739952
Molecular FormulaC22H23Cl2NO2
Molecular Weight404.34 g/mol
Exact Mass403.11
IUPAC Name1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(NC(C)(C)C)OC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H23Cl2NO2/c1-14(26)19-13-22(15-5-9-17(23)10-6-15,16-7-11-18(24)12-8-16)27-20(19)25-21(2,3)4/h5-12,25H,13H2,1-4H3
InChIKeyALAMLGWQDQXDHT-UHFFFAOYSA-N
XLogP5.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.34
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone
CID 10523252
1-[2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-yl]ethanone
CID 15695495
5-Amino-2-(4-chlorophenyl)-2-methyl-4-(2-oxopropyl)furan-3-one
CID 132148355
2-(4-Chlorophenyl)-4-methoxy-2-methyl-5-(methylamino)furan-3-one
CID 132148358
1-[5-(tert-butylamino)-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone
CID 10713767
1-[5-(tert-butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
CID 10759251
N-tert-butyl-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxamide
CID 10787384

Frequently Asked Questions

What is the IUPAC name of 1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone?
The IUPAC name of 1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone (CID 10739952) is 1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone.
What is the SMILES notation for 1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone?
The canonical SMILES for 1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone is CC(=O)C1=C(NC(C)(C)C)OC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone?
The InChIKey is ALAMLGWQDQXDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2NO2/c1-14(26)19-13-22(15-5-9-17(23)10-6-15,16-7-11-18(24)12-8-16)27-20(19)25-21(2,3)4/h5-12,25H,13H2,1-4H3.
What are the key properties of 1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone?
1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone has a molecular weight of 404.34 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone is sourced from PubChem (CID 10739952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).