5-(3,4-dichlorophenyl)-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide

C28H22Cl2N2O3 — CID 43903957

IUPAC5-(3,4-dichlorophenyl)-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCC(c2ccccc2)C1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C28H22Cl2N2O3/c29-22-11-10-19(16-23(22)30)25-12-13-26(35-25)27(33)31-24-9-5-4-8-21(24)28(34)32-15-14-20(17-32)18-6-2-1-3-7-18/h1-13,16,20H,14-15,17H2,(H,31,33)
InChIKeyCTEIRRBNJPVOQX-UHFFFAOYSA-N
MW505.40 g/mol
LogP7.14
Rot. Bonds5

About 5-(3,4-dichlorophenyl)-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide

5-(3,4-dichlorophenyl)-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide (PubChem CID 43903957) has the molecular formula C28H22Cl2N2O3 and a molecular weight of 505.40 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
PubChem CID43903957
Molecular FormulaC28H22Cl2N2O3
Molecular Weight505.40 g/mol
Exact Mass504.10
IUPAC Name5-(3,4-dichlorophenyl)-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCC(c2ccccc2)C1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C28H22Cl2N2O3/c29-22-11-10-19(16-23(22)30)25-12-13-26(35-25)27(33)31-24-9-5-4-8-21(24)28(34)32-15-14-20(17-32)18-6-2-1-3-7-18/h1-13,16,20H,14-15,17H2,(H,31,33)
InChIKeyCTEIRRBNJPVOQX-UHFFFAOYSA-N
XLogP7.14
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.40
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide (CID 43903957) is 5-(3,4-dichlorophenyl)-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide is O=C(Nc1ccccc1C(=O)N1CCC(c2ccccc2)C1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide?
The InChIKey is CTEIRRBNJPVOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2N2O3/c29-22-11-10-19(16-23(22)30)25-12-13-26(35-25)27(33)31-24-9-5-4-8-21(24)28(34)32-15-14-20(17-32)18-6-2-1-3-7-18/h1-13,16,20H,14-15,17H2,(H,31,33).
What are the key properties of 5-(3,4-dichlorophenyl)-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide?
5-(3,4-dichlorophenyl)-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide has a molecular weight of 505.40 g/mol, XLogP of 7.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 43903957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).