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

C20H22Cl2N2O — CID 53252036

IUPAC3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCC2CCCCN2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H22Cl2N2O/c21-18-11-7-15(13-19(18)22)20(25)24-17-9-5-14(6-10-17)4-8-16-3-1-2-12-23-16/h5-7,9-11,13,16,23H,1-4,8,12H2,(H,24,25)
InChIKeyMGNGFZXDCWQENS-UHFFFAOYSA-N
MW377.32 g/mol
LogP5.32
Rot. Bonds5

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

3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide (PubChem CID 53252036) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide
PubChem CID53252036
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC Name3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCC2CCCCN2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H22Cl2N2O/c21-18-11-7-15(13-19(18)22)20(25)24-17-9-5-14(6-10-17)4-8-16-3-1-2-12-23-16/h5-7,9-11,13,16,23H,1-4,8,12H2,(H,24,25)
InChIKeyMGNGFZXDCWQENS-UHFFFAOYSA-N
XLogP5.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.32
LogP ≤ 55.32
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-(2-piperidin-2-ylethyl)phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide (CID 53252036) is 3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide is O=C(Nc1ccc(CCC2CCCCN2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide?
The InChIKey is MGNGFZXDCWQENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c21-18-11-7-15(13-19(18)22)20(25)24-17-9-5-14(6-10-17)4-8-16-3-1-2-12-23-16/h5-7,9-11,13,16,23H,1-4,8,12H2,(H,24,25).
What are the key properties of 3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide?
3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide has a molecular weight of 377.32 g/mol, XLogP of 5.32, 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-piperidin-2-ylethyl)phenyl]benzamide is sourced from PubChem (CID 53252036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).