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

C18H19ClN2O — CID 53251731

IUPAC3-chloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O/c19-16-5-1-3-14(11-16)18(22)21-17-8-6-13(7-9-17)15-4-2-10-20-12-15/h1,3,5-9,11,15,20H,2,4,10,12H2,(H,21,22)/t15-/m1/s1
InChIKeyZLZDTXYJVXUIRV-OAHLLOKOSA-N
MW314.82 g/mol
LogP4.06
Rot. Bonds3

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

3-chloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide (PubChem CID 53251731) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 3-chloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
PubChem CID53251731
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name3-chloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O/c19-16-5-1-3-14(11-16)18(22)21-17-8-6-13(7-9-17)15-4-2-10-20-12-15/h1,3,5-9,11,15,20H,2,4,10,12H2,(H,21,22)/t15-/m1/s1
InChIKeyZLZDTXYJVXUIRV-OAHLLOKOSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.06
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-[(3S)-piperidin-3-yl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide (CID 53251731) is 3-chloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide is O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The InChIKey is ZLZDTXYJVXUIRV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-16-5-1-3-14(11-16)18(22)21-17-8-6-13(7-9-17)15-4-2-10-20-12-15/h1,3,5-9,11,15,20H,2,4,10,12H2,(H,21,22)/t15-/m1/s1.
What are the key properties of 3-chloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
3-chloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide has a molecular weight of 314.82 g/mol, XLogP of 4.06, 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-[(3S)-piperidin-3-yl]phenyl]benzamide is sourced from PubChem (CID 53251731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).