3,4-dichloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide

C19H20Cl2N2O — CID 53251732

IUPAC3,4-dichloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCC2CCCN2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O/c20-17-10-6-14(12-18(17)21)19(24)23-16-8-4-13(5-9-16)3-7-15-2-1-11-22-15/h4-6,8-10,12,15,22H,1-3,7,11H2,(H,23,24)
InChIKeyAJLQUOXNZAXTHI-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.93
Rot. Bonds5

About 3,4-dichloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide

3,4-dichloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide (PubChem CID 53251732) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide
PubChem CID53251732
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name3,4-dichloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCC2CCCN2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O/c20-17-10-6-14(12-18(17)21)19(24)23-16-8-4-13(5-9-16)3-7-15-2-1-11-22-15/h4-6,8-10,12,15,22H,1-3,7,11H2,(H,23,24)
InChIKeyAJLQUOXNZAXTHI-UHFFFAOYSA-N
XLogP4.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.93
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-(2-pyrrolidin-2-ylethyl)phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide (CID 53251732) is 3,4-dichloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide is O=C(Nc1ccc(CCC2CCCN2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide?
The InChIKey is AJLQUOXNZAXTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c20-17-10-6-14(12-18(17)21)19(24)23-16-8-4-13(5-9-16)3-7-15-2-1-11-22-15/h4-6,8-10,12,15,22H,1-3,7,11H2,(H,23,24).
What are the key properties of 3,4-dichloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide?
3,4-dichloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide has a molecular weight of 363.29 g/mol, XLogP of 4.93, 5 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-(2-pyrrolidin-2-ylethyl)phenyl]benzamide is sourced from PubChem (CID 53251732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).