3-chloro-N-(4-pyrrolidin-3-ylphenyl)benzamide

C17H17ClN2O — CID 53242981

IUPAC3-chloro-N-(4-pyrrolidin-3-ylphenyl)benzamide
SMILESO=C(Nc1ccc(C2CCNC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O/c18-15-3-1-2-13(10-15)17(21)20-16-6-4-12(5-7-16)14-8-9-19-11-14/h1-7,10,14,19H,8-9,11H2,(H,20,21)
InChIKeyOMWKYYJZUDVQJA-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.67
Rot. Bonds3

About 3-chloro-N-(4-pyrrolidin-3-ylphenyl)benzamide

3-chloro-N-(4-pyrrolidin-3-ylphenyl)benzamide (PubChem CID 53242981) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-chloro-N-(4-pyrrolidin-3-ylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-pyrrolidin-3-ylphenyl)benzamide
PubChem CID53242981
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name3-chloro-N-(4-pyrrolidin-3-ylphenyl)benzamide
SMILESO=C(Nc1ccc(C2CCNC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O/c18-15-3-1-2-13(10-15)17(21)20-16-6-4-12(5-7-16)14-8-9-19-11-14/h1-7,10,14,19H,8-9,11H2,(H,20,21)
InChIKeyOMWKYYJZUDVQJA-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-pyrrolidin-3-ylphenyl)benzamide?
The IUPAC name of 3-chloro-N-(4-pyrrolidin-3-ylphenyl)benzamide (CID 53242981) is 3-chloro-N-(4-pyrrolidin-3-ylphenyl)benzamide.
What is the SMILES notation for 3-chloro-N-(4-pyrrolidin-3-ylphenyl)benzamide?
The canonical SMILES for 3-chloro-N-(4-pyrrolidin-3-ylphenyl)benzamide is O=C(Nc1ccc(C2CCNC2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-pyrrolidin-3-ylphenyl)benzamide?
The InChIKey is OMWKYYJZUDVQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-15-3-1-2-13(10-15)17(21)20-16-6-4-12(5-7-16)14-8-9-19-11-14/h1-7,10,14,19H,8-9,11H2,(H,20,21).
What are the key properties of 3-chloro-N-(4-pyrrolidin-3-ylphenyl)benzamide?
3-chloro-N-(4-pyrrolidin-3-ylphenyl)benzamide has a molecular weight of 300.79 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-pyrrolidin-3-ylphenyl)benzamide is sourced from PubChem (CID 53242981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).