3,4-dichloro-N-(4-pyrrolidin-3-ylphenyl)benzamide

C17H16Cl2N2O — CID 53250924

IUPAC3,4-dichloro-N-(4-pyrrolidin-3-ylphenyl)benzamide
SMILESO=C(Nc1ccc(C2CCNC2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O/c18-15-6-3-12(9-16(15)19)17(22)21-14-4-1-11(2-5-14)13-7-8-20-10-13/h1-6,9,13,20H,7-8,10H2,(H,21,22)
InChIKeyORXKPQKZTOYBFR-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.32
Rot. Bonds3

About 3,4-dichloro-N-(4-pyrrolidin-3-ylphenyl)benzamide

3,4-dichloro-N-(4-pyrrolidin-3-ylphenyl)benzamide (PubChem CID 53250924) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is 3,4-dichloro-N-(4-pyrrolidin-3-ylphenyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(4-pyrrolidin-3-ylphenyl)benzamide
PubChem CID53250924
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name3,4-dichloro-N-(4-pyrrolidin-3-ylphenyl)benzamide
SMILESO=C(Nc1ccc(C2CCNC2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O/c18-15-6-3-12(9-16(15)19)17(22)21-14-4-1-11(2-5-14)13-7-8-20-10-13/h1-6,9,13,20H,7-8,10H2,(H,21,22)
InChIKeyORXKPQKZTOYBFR-UHFFFAOYSA-N
XLogP4.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(4-pyrrolidin-3-ylphenyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(4-pyrrolidin-3-ylphenyl)benzamide (CID 53250924) is 3,4-dichloro-N-(4-pyrrolidin-3-ylphenyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(4-pyrrolidin-3-ylphenyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(4-pyrrolidin-3-ylphenyl)benzamide is O=C(Nc1ccc(C2CCNC2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(4-pyrrolidin-3-ylphenyl)benzamide?
The InChIKey is ORXKPQKZTOYBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c18-15-6-3-12(9-16(15)19)17(22)21-14-4-1-11(2-5-14)13-7-8-20-10-13/h1-6,9,13,20H,7-8,10H2,(H,21,22).
What are the key properties of 3,4-dichloro-N-(4-pyrrolidin-3-ylphenyl)benzamide?
3,4-dichloro-N-(4-pyrrolidin-3-ylphenyl)benzamide has a molecular weight of 335.23 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(4-pyrrolidin-3-ylphenyl)benzamide is sourced from PubChem (CID 53250924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).