N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-phenylpyrrolidine-2-carboxamide

C19H20Cl2N2O2 — CID 166226991

IUPACN-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-phenylpyrrolidine-2-carboxamide
SMILESO=C(NCC(O)c1cc(Cl)cc(Cl)c1)C1CCCN1c1ccccc1
InChIInChI=1S/C19H20Cl2N2O2/c20-14-9-13(10-15(21)11-14)18(24)12-22-19(25)17-7-4-8-23(17)16-5-2-1-3-6-16/h1-3,5-6,9-11,17-18,24H,4,7-8,12H2,(H,22,25)
InChIKeyRCOGFOVJZFVUCB-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.81
Rot. Bonds5

About N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-phenylpyrrolidine-2-carboxamide

N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-phenylpyrrolidine-2-carboxamide (PubChem CID 166226991) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-phenylpyrrolidine-2-carboxamide
PubChem CID166226991
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC NameN-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-phenylpyrrolidine-2-carboxamide
SMILESO=C(NCC(O)c1cc(Cl)cc(Cl)c1)C1CCCN1c1ccccc1
InChIInChI=1S/C19H20Cl2N2O2/c20-14-9-13(10-15(21)11-14)18(24)12-22-19(25)17-7-4-8-23(17)16-5-2-1-3-6-16/h1-3,5-6,9-11,17-18,24H,4,7-8,12H2,(H,22,25)
InChIKeyRCOGFOVJZFVUCB-UHFFFAOYSA-N
XLogP3.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-phenylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-phenylpyrrolidine-2-carboxamide (CID 166226991) is N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-phenylpyrrolidine-2-carboxamide is O=C(NCC(O)c1cc(Cl)cc(Cl)c1)C1CCCN1c1ccccc1.
What is the InChIKey of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-phenylpyrrolidine-2-carboxamide?
The InChIKey is RCOGFOVJZFVUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c20-14-9-13(10-15(21)11-14)18(24)12-22-19(25)17-7-4-8-23(17)16-5-2-1-3-6-16/h1-3,5-6,9-11,17-18,24H,4,7-8,12H2,(H,22,25).
What are the key properties of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-phenylpyrrolidine-2-carboxamide?
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-phenylpyrrolidine-2-carboxamide has a molecular weight of 379.29 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 166226991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).