N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-(3-hydroxyphenyl)acetamide

C18H19ClN2O2 — CID 71860625

IUPACN-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NC1CCN(c2cccc(Cl)c2)C1
InChIInChI=1S/C18H19ClN2O2/c19-14-4-2-5-16(11-14)21-8-7-15(12-21)20-18(23)10-13-3-1-6-17(22)9-13/h1-6,9,11,15,22H,7-8,10,12H2,(H,20,23)
InChIKeyHPFXHWQACZSXPG-UHFFFAOYSA-N
MW330.81 g/mol
LogP2.98
Rot. Bonds4

About N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-(3-hydroxyphenyl)acetamide

N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 71860625) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-(3-hydroxyphenyl)acetamide
PubChem CID71860625
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC NameN-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NC1CCN(c2cccc(Cl)c2)C1
InChIInChI=1S/C18H19ClN2O2/c19-14-4-2-5-16(11-14)21-8-7-15(12-21)20-18(23)10-13-3-1-6-17(22)9-13/h1-6,9,11,15,22H,7-8,10,12H2,(H,20,23)
InChIKeyHPFXHWQACZSXPG-UHFFFAOYSA-N
XLogP2.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-(3-hydroxyphenyl)acetamide (CID 71860625) is N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)NC1CCN(c2cccc(Cl)c2)C1.
What is the InChIKey of N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is HPFXHWQACZSXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-14-4-2-5-16(11-14)21-8-7-15(12-21)20-18(23)10-13-3-1-6-17(22)9-13/h1-6,9,11,15,22H,7-8,10,12H2,(H,20,23).
What are the key properties of N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-(3-hydroxyphenyl)acetamide?
N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 330.81 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 71860625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).