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

C38H32Cl4N2O4 — CID 11571255

IUPACN-[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
SMILESCC1=C(C(=O)NCCNC(=O)C2=C(C)OC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)C2)CC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C38H32Cl4N2O4/c1-23-33(21-37(47-23,25-3-11-29(39)12-4-25)26-5-13-30(40)14-6-26)35(45)43-19-20-44-36(46)34-22-38(48-24(34)2,27-7-15-31(41)16-8-27)28-9-17-32(42)18-10-28/h3-18H,19-22H2,1-2H3,(H,43,45)(H,44,46)
InChIKeySAUNEYYLFBQNLF-UHFFFAOYSA-N
MW722.50 g/mol
LogP9.11
Rot. Bonds9

About 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

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 (PubChem CID 11571255) has the molecular formula C38H32Cl4N2O4 and a molecular weight of 722.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID11571255
Molecular FormulaC38H32Cl4N2O4
Molecular Weight722.50 g/mol
Exact Mass720.11
IUPAC NameN-[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
SMILESCC1=C(C(=O)NCCNC(=O)C2=C(C)OC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)C2)CC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C38H32Cl4N2O4/c1-23-33(21-37(47-23,25-3-11-29(39)12-4-25)26-5-13-30(40)14-6-26)35(45)43-19-20-44-36(46)34-22-38(48-24(34)2,27-7-15-31(41)16-8-27)28-9-17-32(42)18-10-28/h3-18H,19-22H2,1-2H3,(H,43,45)(H,44,46)
InChIKeySAUNEYYLFBQNLF-UHFFFAOYSA-N
XLogP9.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.50
LogP ≤ 59.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxamide
CID 10787384
5-methyl-N-[8-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]octyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11513093
5-methyl-N-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11541572
5-methyl-N-[2-[2-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethoxy]ethoxy]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11549258
5-methyl-N-[4-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]butyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11563467
5-methyl-N-[6-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]hexyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11578244
5-methyl-N-[3-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]propyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11592428
5-methyl-N-[2-[[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-carbonyl]amino]ethyl]-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide
CID 11592650
5-methyl-N-[5-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]pentyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11599827
5-methyl-N-[7-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]heptyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 11664642

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=C(C(=O)NCCNC(=O)C2=C(C)OC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)C2)CC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)O1.
What is the InChIKey of 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?
The InChIKey is SAUNEYYLFBQNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32Cl4N2O4/c1-23-33(21-37(47-23,25-3-11-29(39)12-4-25)26-5-13-30(40)14-6-26)35(45)43-19-20-44-36(46)34-22-38(48-24(34)2,27-7-15-31(41)16-8-27)28-9-17-32(42)18-10-28/h3-18H,19-22H2,1-2H3,(H,43,45)(H,44,46).
What are the key properties of 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?
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 has a molecular weight of 722.50 g/mol, XLogP of 9.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11571255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).