5-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide

C24H25ClN2O3 — CID 18292571

IUPAC5-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(-c3ccccc3Cl)o2)N2CCCC2)cc1
InChIInChI=1S/C24H25ClN2O3/c1-29-18-10-8-17(9-11-18)21(27-14-4-5-15-27)16-26-24(28)23-13-12-22(30-23)19-6-2-3-7-20(19)25/h2-3,6-13,21H,4-5,14-16H2,1H3,(H,26,28)
InChIKeyBWNYMWXRMJNYHR-UHFFFAOYSA-N
MW424.93 g/mol
LogP5.18
Rot. Bonds7

About 5-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide

5-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide (PubChem CID 18292571) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
PubChem CID18292571
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC Name5-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(-c3ccccc3Cl)o2)N2CCCC2)cc1
InChIInChI=1S/C24H25ClN2O3/c1-29-18-10-8-17(9-11-18)21(27-14-4-5-15-27)16-26-24(28)23-13-12-22(30-23)19-6-2-3-7-20(19)25/h2-3,6-13,21H,4-5,14-16H2,1H3,(H,26,28)
InChIKeyBWNYMWXRMJNYHR-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-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide (CID 18292571) is 5-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide is COc1ccc(C(CNC(=O)c2ccc(-c3ccccc3Cl)o2)N2CCCC2)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
The InChIKey is BWNYMWXRMJNYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-29-18-10-8-17(9-11-18)21(27-14-4-5-15-27)16-26-24(28)23-13-12-22(30-23)19-6-2-3-7-20(19)25/h2-3,6-13,21H,4-5,14-16H2,1H3,(H,26,28).
What are the key properties of 5-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-[2-(4-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-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 18292571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).