5-[[2-(2-chlorophenyl)ethylamino]methyl]-N-[2-(2-fluorophenyl)ethyl]furan-2-carboxamide

C22H22ClFN2O2 — CID 59993945

IUPAC5-[[2-(2-chlorophenyl)ethylamino]methyl]-N-[2-(2-fluorophenyl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc(CNCCc2ccccc2Cl)o1
InChIInChI=1S/C22H22ClFN2O2/c23-19-7-3-1-5-16(19)11-13-25-15-18-9-10-21(28-18)22(27)26-14-12-17-6-2-4-8-20(17)24/h1-10,25H,11-15H2,(H,26,27)
InChIKeyFXYXZZSYTBWGEC-UHFFFAOYSA-N
MW400.88 g/mol
LogP4.38
Rot. Bonds9

About 5-[[2-(2-chlorophenyl)ethylamino]methyl]-N-[2-(2-fluorophenyl)ethyl]furan-2-carboxamide

5-[[2-(2-chlorophenyl)ethylamino]methyl]-N-[2-(2-fluorophenyl)ethyl]furan-2-carboxamide (PubChem CID 59993945) has the molecular formula C22H22ClFN2O2 and a molecular weight of 400.88 g/mol. Its IUPAC name is 5-[[2-(2-chlorophenyl)ethylamino]methyl]-N-[2-(2-fluorophenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(2-chlorophenyl)ethylamino]methyl]-N-[2-(2-fluorophenyl)ethyl]furan-2-carboxamide
PubChem CID59993945
Molecular FormulaC22H22ClFN2O2
Molecular Weight400.88 g/mol
Exact Mass400.14
IUPAC Name5-[[2-(2-chlorophenyl)ethylamino]methyl]-N-[2-(2-fluorophenyl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc(CNCCc2ccccc2Cl)o1
InChIInChI=1S/C22H22ClFN2O2/c23-19-7-3-1-5-16(19)11-13-25-15-18-9-10-21(28-18)22(27)26-14-12-17-6-2-4-8-20(17)24/h1-10,25H,11-15H2,(H,26,27)
InChIKeyFXYXZZSYTBWGEC-UHFFFAOYSA-N
XLogP4.38
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.88
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide
CID 5049846
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4724330
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 108998209
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
6-[(2-chlorophenyl)methylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109156772
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000291
N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000163
5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 9080736
5-[[benzyl(methyl)amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide
CID 5095437
1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900131
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-chlorophenyl)ethylamino]methyl]-N-[2-(2-fluorophenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[[2-(2-chlorophenyl)ethylamino]methyl]-N-[2-(2-fluorophenyl)ethyl]furan-2-carboxamide (CID 59993945) is 5-[[2-(2-chlorophenyl)ethylamino]methyl]-N-[2-(2-fluorophenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[2-(2-chlorophenyl)ethylamino]methyl]-N-[2-(2-fluorophenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[[2-(2-chlorophenyl)ethylamino]methyl]-N-[2-(2-fluorophenyl)ethyl]furan-2-carboxamide is O=C(NCCc1ccccc1F)c1ccc(CNCCc2ccccc2Cl)o1.
What is the InChIKey of 5-[[2-(2-chlorophenyl)ethylamino]methyl]-N-[2-(2-fluorophenyl)ethyl]furan-2-carboxamide?
The InChIKey is FXYXZZSYTBWGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN2O2/c23-19-7-3-1-5-16(19)11-13-25-15-18-9-10-21(28-18)22(27)26-14-12-17-6-2-4-8-20(17)24/h1-10,25H,11-15H2,(H,26,27).
What are the key properties of 5-[[2-(2-chlorophenyl)ethylamino]methyl]-N-[2-(2-fluorophenyl)ethyl]furan-2-carboxamide?
5-[[2-(2-chlorophenyl)ethylamino]methyl]-N-[2-(2-fluorophenyl)ethyl]furan-2-carboxamide has a molecular weight of 400.88 g/mol, XLogP of 4.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chlorophenyl)ethylamino]methyl]-N-[2-(2-fluorophenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 59993945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).