1-[4-[1-[4-(3-chlorophenyl)-2-methylfuran-3-yl]ethenyl]-1H-pyrrol-2-yl]-N-(furan-2-ylmethyl)ethenamine

C24H21ClN2O2 — CID 143434089

IUPAC1-[4-[1-[4-(3-chlorophenyl)-2-methylfuran-3-yl]ethenyl]-1H-pyrrol-2-yl]-N-(furan-2-ylmethyl)ethenamine
SMILESC=C(NCc1ccco1)c1cc(C(=C)c2c(-c3cccc(Cl)c3)coc2C)c[nH]1
InChIInChI=1S/C24H21ClN2O2/c1-15(24-17(3)29-14-22(24)18-6-4-7-20(25)10-18)19-11-23(27-12-19)16(2)26-13-21-8-5-9-28-21/h4-12,14,26-27H,1-2,13H2,3H3
InChIKeyTWRBUUYPIIMNGC-UHFFFAOYSA-N
MW404.90 g/mol
LogP6.65
Rot. Bonds7

About 1-[4-[1-[4-(3-chlorophenyl)-2-methylfuran-3-yl]ethenyl]-1H-pyrrol-2-yl]-N-(furan-2-ylmethyl)ethenamine

1-[4-[1-[4-(3-chlorophenyl)-2-methylfuran-3-yl]ethenyl]-1H-pyrrol-2-yl]-N-(furan-2-ylmethyl)ethenamine (PubChem CID 143434089) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 1-[4-[1-[4-(3-chlorophenyl)-2-methylfuran-3-yl]ethenyl]-1H-pyrrol-2-yl]-N-(furan-2-ylmethyl)ethenamine.

Molecular Properties

Compound Name1-[4-[1-[4-(3-chlorophenyl)-2-methylfuran-3-yl]ethenyl]-1H-pyrrol-2-yl]-N-(furan-2-ylmethyl)ethenamine
PubChem CID143434089
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC Name1-[4-[1-[4-(3-chlorophenyl)-2-methylfuran-3-yl]ethenyl]-1H-pyrrol-2-yl]-N-(furan-2-ylmethyl)ethenamine
SMILESC=C(NCc1ccco1)c1cc(C(=C)c2c(-c3cccc(Cl)c3)coc2C)c[nH]1
InChIInChI=1S/C24H21ClN2O2/c1-15(24-17(3)29-14-22(24)18-6-4-7-20(25)10-18)19-11-23(27-12-19)16(2)26-13-21-8-5-9-28-21/h4-12,14,26-27H,1-2,13H2,3H3
InChIKeyTWRBUUYPIIMNGC-UHFFFAOYSA-N
XLogP6.65
TPSA54.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[4-(3-chlorophenyl)-2-methylfuran-3-yl]ethenyl]-1H-pyrrol-2-yl]-N-(furan-2-ylmethyl)ethenamine?
The IUPAC name of 1-[4-[1-[4-(3-chlorophenyl)-2-methylfuran-3-yl]ethenyl]-1H-pyrrol-2-yl]-N-(furan-2-ylmethyl)ethenamine (CID 143434089) is 1-[4-[1-[4-(3-chlorophenyl)-2-methylfuran-3-yl]ethenyl]-1H-pyrrol-2-yl]-N-(furan-2-ylmethyl)ethenamine.
What is the SMILES notation for 1-[4-[1-[4-(3-chlorophenyl)-2-methylfuran-3-yl]ethenyl]-1H-pyrrol-2-yl]-N-(furan-2-ylmethyl)ethenamine?
The canonical SMILES for 1-[4-[1-[4-(3-chlorophenyl)-2-methylfuran-3-yl]ethenyl]-1H-pyrrol-2-yl]-N-(furan-2-ylmethyl)ethenamine is C=C(NCc1ccco1)c1cc(C(=C)c2c(-c3cccc(Cl)c3)coc2C)c[nH]1.
What is the InChIKey of 1-[4-[1-[4-(3-chlorophenyl)-2-methylfuran-3-yl]ethenyl]-1H-pyrrol-2-yl]-N-(furan-2-ylmethyl)ethenamine?
The InChIKey is TWRBUUYPIIMNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-15(24-17(3)29-14-22(24)18-6-4-7-20(25)10-18)19-11-23(27-12-19)16(2)26-13-21-8-5-9-28-21/h4-12,14,26-27H,1-2,13H2,3H3.
What are the key properties of 1-[4-[1-[4-(3-chlorophenyl)-2-methylfuran-3-yl]ethenyl]-1H-pyrrol-2-yl]-N-(furan-2-ylmethyl)ethenamine?
1-[4-[1-[4-(3-chlorophenyl)-2-methylfuran-3-yl]ethenyl]-1H-pyrrol-2-yl]-N-(furan-2-ylmethyl)ethenamine has a molecular weight of 404.90 g/mol, XLogP of 6.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[4-(3-chlorophenyl)-2-methylfuran-3-yl]ethenyl]-1H-pyrrol-2-yl]-N-(furan-2-ylmethyl)ethenamine is sourced from PubChem (CID 143434089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).