3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

C26H27ClN2O2 — CID 4765536

IUPAC3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(COc2ccc(Cl)cc2)c1
InChIInChI=1S/C26H27ClN2O2/c27-23-9-13-25(14-10-23)31-19-21-5-4-6-22(17-21)26(30)28-24-11-7-20(8-12-24)18-29-15-2-1-3-16-29/h4-14,17H,1-3,15-16,18-19H2,(H,28,30)
InChIKeyIVFXWRBLNQJPOG-UHFFFAOYSA-N
MW434.97 g/mol
LogP6.16
Rot. Bonds7

About 3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (PubChem CID 4765536) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
PubChem CID4765536
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC Name3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(COc2ccc(Cl)cc2)c1
InChIInChI=1S/C26H27ClN2O2/c27-23-9-13-25(14-10-23)31-19-21-5-4-6-22(17-21)26(30)28-24-11-7-20(8-12-24)18-29-15-2-1-3-16-29/h4-14,17H,1-3,15-16,18-19H2,(H,28,30)
InChIKeyIVFXWRBLNQJPOG-UHFFFAOYSA-N
XLogP6.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 3296520
4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19503369
2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 72710604
3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283686
3-[(4-chlorophenoxy)methyl]-N-(3-nitrophenyl)benzamide
CID 1225516
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19283696
3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2275832
[3-[(4-chlorophenoxy)methyl]phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325225
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 28579825
3-[(4-chlorophenoxy)methyl]-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286735
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-[(4-chlorophenoxy)methyl]benzamide
CID 19394542

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (CID 4765536) is 3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(COc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is IVFXWRBLNQJPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O2/c27-23-9-13-25(14-10-23)31-19-21-5-4-6-22(17-21)26(30)28-24-11-7-20(8-12-24)18-29-15-2-1-3-16-29/h4-14,17H,1-3,15-16,18-19H2,(H,28,30).
What are the key properties of 3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 434.97 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 4765536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).