4-chloro-2-(3-pyrrolidin-3-yloxyphenyl)benzamide

C17H17ClN2O2 — CID 67250566

IUPAC4-chloro-2-(3-pyrrolidin-3-yloxyphenyl)benzamide
SMILESNC(=O)c1ccc(Cl)cc1-c1cccc(OC2CCNC2)c1
InChIInChI=1S/C17H17ClN2O2/c18-12-4-5-15(17(19)21)16(9-12)11-2-1-3-13(8-11)22-14-6-7-20-10-14/h1-5,8-9,14,20H,6-7,10H2,(H2,19,21)
InChIKeyJMGIJMKYZRWKOC-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.85
Rot. Bonds4

About 4-chloro-2-(3-pyrrolidin-3-yloxyphenyl)benzamide

4-chloro-2-(3-pyrrolidin-3-yloxyphenyl)benzamide (PubChem CID 67250566) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 4-chloro-2-(3-pyrrolidin-3-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-(3-pyrrolidin-3-yloxyphenyl)benzamide
PubChem CID67250566
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name4-chloro-2-(3-pyrrolidin-3-yloxyphenyl)benzamide
SMILESNC(=O)c1ccc(Cl)cc1-c1cccc(OC2CCNC2)c1
InChIInChI=1S/C17H17ClN2O2/c18-12-4-5-15(17(19)21)16(9-12)11-2-1-3-13(8-11)22-14-6-7-20-10-14/h1-5,8-9,14,20H,6-7,10H2,(H2,19,21)
InChIKeyJMGIJMKYZRWKOC-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-pyrrolidin-3-yloxyphenyl)benzamide?
The IUPAC name of 4-chloro-2-(3-pyrrolidin-3-yloxyphenyl)benzamide (CID 67250566) is 4-chloro-2-(3-pyrrolidin-3-yloxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-2-(3-pyrrolidin-3-yloxyphenyl)benzamide?
The canonical SMILES for 4-chloro-2-(3-pyrrolidin-3-yloxyphenyl)benzamide is NC(=O)c1ccc(Cl)cc1-c1cccc(OC2CCNC2)c1.
What is the InChIKey of 4-chloro-2-(3-pyrrolidin-3-yloxyphenyl)benzamide?
The InChIKey is JMGIJMKYZRWKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-12-4-5-15(17(19)21)16(9-12)11-2-1-3-13(8-11)22-14-6-7-20-10-14/h1-5,8-9,14,20H,6-7,10H2,(H2,19,21).
What are the key properties of 4-chloro-2-(3-pyrrolidin-3-yloxyphenyl)benzamide?
4-chloro-2-(3-pyrrolidin-3-yloxyphenyl)benzamide has a molecular weight of 316.79 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-pyrrolidin-3-yloxyphenyl)benzamide is sourced from PubChem (CID 67250566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).