5-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide

C24H25ClN2O3 — CID 24978934

IUPAC5-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1ccc(-c2ccccc2Cl)o1)N1CCCC1
InChIInChI=1S/C24H25ClN2O3/c1-29-21-11-5-3-9-18(21)20(27-14-6-7-15-27)16-26-24(28)23-13-12-22(30-23)17-8-2-4-10-19(17)25/h2-5,8-13,20H,6-7,14-16H2,1H3,(H,26,28)
InChIKeyVOYVDQIPUWRVSF-UHFFFAOYSA-N
MW424.93 g/mol
LogP5.18
Rot. Bonds7

About 5-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide

5-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide (PubChem CID 24978934) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
PubChem CID24978934
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC Name5-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1ccc(-c2ccccc2Cl)o1)N1CCCC1
InChIInChI=1S/C24H25ClN2O3/c1-29-21-11-5-3-9-18(21)20(27-14-6-7-15-27)16-26-24(28)23-13-12-22(30-23)17-8-2-4-10-19(17)25/h2-5,8-13,20H,6-7,14-16H2,1H3,(H,26,28)
InChIKeyVOYVDQIPUWRVSF-UHFFFAOYSA-N
XLogP5.18
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.93
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide (CID 24978934) is 5-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide is COc1ccccc1C(CNC(=O)c1ccc(-c2ccccc2Cl)o1)N1CCCC1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
The InChIKey is VOYVDQIPUWRVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-29-21-11-5-3-9-18(21)20(27-14-6-7-15-27)16-26-24(28)23-13-12-22(30-23)17-8-2-4-10-19(17)25/h2-5,8-13,20H,6-7,14-16H2,1H3,(H,26,28).
What are the key properties of 5-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 24978934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).