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

C19H21ClN2O — CID 67239171

IUPAC4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)ccc1Cl
InChIInChI=1S/C19H21ClN2O/c1-13-11-15(6-9-18(13)20)19(23)22-17-7-4-14(5-8-17)16-3-2-10-21-12-16/h4-9,11,16,21H,2-3,10,12H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyVUMINTLTPBCKEQ-MRXNPFEDSA-N
MW328.84 g/mol
LogP4.37
Rot. Bonds3

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

4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide (PubChem CID 67239171) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
PubChem CID67239171
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)ccc1Cl
InChIInChI=1S/C19H21ClN2O/c1-13-11-15(6-9-18(13)20)19(23)22-17-7-4-14(5-8-17)16-3-2-10-21-12-16/h4-9,11,16,21H,2-3,10,12H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyVUMINTLTPBCKEQ-MRXNPFEDSA-N
XLogP4.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The IUPAC name of 4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide (CID 67239171) is 4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The canonical SMILES for 4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide is Cc1cc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The InChIKey is VUMINTLTPBCKEQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-13-11-15(6-9-18(13)20)19(23)22-17-7-4-14(5-8-17)16-3-2-10-21-12-16/h4-9,11,16,21H,2-3,10,12H2,1H3,(H,22,23)/t16-/m1/s1.
What are the key properties of 4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide has a molecular weight of 328.84 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide is sourced from PubChem (CID 67239171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).