2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

C26H27ClN2O2 — CID 72710604

IUPAC2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(OCc2ccccc2)ccc1Cl
InChIInChI=1S/C26H27ClN2O2/c27-25-14-13-23(31-19-21-7-3-1-4-8-21)17-24(25)26(30)28-22-11-9-20(10-12-22)18-29-15-5-2-6-16-29/h1,3-4,7-14,17H,2,5-6,15-16,18-19H2,(H,28,30)
InChIKeyZPHUOHPAOKZJAU-UHFFFAOYSA-N
MW434.97 g/mol
LogP6.16
Rot. Bonds7

About 2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (PubChem CID 72710604) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
PubChem CID72710604
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC Name2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(OCc2ccccc2)ccc1Cl
InChIInChI=1S/C26H27ClN2O2/c27-25-14-13-23(31-19-21-7-3-1-4-8-21)17-24(25)26(30)28-22-11-9-20(10-12-22)18-29-15-5-2-6-16-29/h1,3-4,7-14,17H,2,5-6,15-16,18-19H2,(H,28,30)
InChIKeyZPHUOHPAOKZJAU-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
5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide
CID 2953641
3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 4765536
4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19503369
1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210
2-(4-chloro-3-methylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 2197171
1-(3-hydroxypropyl)-3-[4-[[4-[(4-phenylmethoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]urea
CID 23642222
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 45014267
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 135336988
4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid
CID 10244950
2-chloro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide
CID 106685912

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (CID 72710604) is 2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(OCc2ccccc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is ZPHUOHPAOKZJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O2/c27-25-14-13-23(31-19-21-7-3-1-4-8-21)17-24(25)26(30)28-22-11-9-20(10-12-22)18-29-15-5-2-6-16-29/h1,3-4,7-14,17H,2,5-6,15-16,18-19H2,(H,28,30).
What are the key properties of 2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
2-chloro-5-phenylmethoxy-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 2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 72710604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).