4-cyano-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide

C20H18FN3O3 — CID 17420576

IUPAC4-cyano-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CCOc1ccccc1F
InChIInChI=1S/C20H18FN3O3/c1-14-18(15(13-22)20(27-14)24-9-5-6-10-24)19(25)23(2)11-12-26-17-8-4-3-7-16(17)21/h3-10H,11-12H2,1-2H3
InChIKeyRXUUBURFZXFGFK-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.54
Rot. Bonds6

About 4-cyano-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide

4-cyano-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide (PubChem CID 17420576) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 4-cyano-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide
PubChem CID17420576
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name4-cyano-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CCOc1ccccc1F
InChIInChI=1S/C20H18FN3O3/c1-14-18(15(13-22)20(27-14)24-9-5-6-10-24)19(25)23(2)11-12-26-17-8-4-3-7-16(17)21/h3-10H,11-12H2,1-2H3
InChIKeyRXUUBURFZXFGFK-UHFFFAOYSA-N
XLogP3.54
TPSA71.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_F(5)', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-[(4-fluorophenyl)methyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 46474432
(2-ethoxyphenyl)methyl 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782766
N-[2-(2-fluorophenoxy)ethyl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
CID 60958776
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 18136161
4-cyano-2-methyl-N-[2-(2-methylpropoxy)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 87027951
N-[2-(2-fluorophenoxy)ethyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide
CID 46656087
3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 134044702
4-cyano-N-(3-hydroxy-3-phenylpropyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 111471557
3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 60936955
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
CID 80542832
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-phenoxybenzamide
CID 18282160
N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide
CID 60554110

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide?
The IUPAC name of 4-cyano-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide (CID 17420576) is 4-cyano-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide.
What is the SMILES notation for 4-cyano-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide?
The canonical SMILES for 4-cyano-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide is Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CCOc1ccccc1F.
What is the InChIKey of 4-cyano-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide?
The InChIKey is RXUUBURFZXFGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-14-18(15(13-22)20(27-14)24-9-5-6-10-24)19(25)23(2)11-12-26-17-8-4-3-7-16(17)21/h3-10H,11-12H2,1-2H3.
What are the key properties of 4-cyano-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide?
4-cyano-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide is sourced from PubChem (CID 17420576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).