3,4-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide

C18H18Cl2N2O — CID 53251730

IUPAC3,4-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O/c19-16-8-5-13(10-17(16)20)18(23)22-15-6-3-12(4-7-15)14-2-1-9-21-11-14/h3-8,10,14,21H,1-2,9,11H2,(H,22,23)/t14-/m1/s1
InChIKeyWJCOEQGELCLNAO-CQSZACIVSA-N
MW349.26 g/mol
LogP4.71
Rot. Bonds3

About 3,4-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide

3,4-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide (PubChem CID 53251730) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
PubChem CID53251730
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name3,4-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O/c19-16-8-5-13(10-17(16)20)18(23)22-15-6-3-12(4-7-15)14-2-1-9-21-11-14/h3-8,10,14,21H,1-2,9,11H2,(H,22,23)/t14-/m1/s1
InChIKeyWJCOEQGELCLNAO-CQSZACIVSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.71
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-[(3S)-piperidin-3-yl]phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide (CID 53251730) is 3,4-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide is O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The InChIKey is WJCOEQGELCLNAO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c19-16-8-5-13(10-17(16)20)18(23)22-15-6-3-12(4-7-15)14-2-1-9-21-11-14/h3-8,10,14,21H,1-2,9,11H2,(H,22,23)/t14-/m1/s1.
What are the key properties of 3,4-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
3,4-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide has a molecular weight of 349.26 g/mol, XLogP of 4.71, 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-[(3S)-piperidin-3-yl]phenyl]benzamide is sourced from PubChem (CID 53251730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).