4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide

C27H29ClN2O — CID 11743571

IUPAC4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(CN2CCCCC2)cc1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H29ClN2O/c28-26-14-12-24(13-15-26)23-8-10-25(11-9-23)27(31)29-17-16-21-4-6-22(7-5-21)20-30-18-2-1-3-19-30/h4-15H,1-3,16-20H2,(H,29,31)
InChIKeyNYDXOPYTOGGQKB-UHFFFAOYSA-N
MW433.00 g/mol
LogP5.97
Rot. Bonds7

About 4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide

4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide (PubChem CID 11743571) has the molecular formula C27H29ClN2O and a molecular weight of 433.00 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide
PubChem CID11743571
Molecular FormulaC27H29ClN2O
Molecular Weight433.00 g/mol
Exact Mass432.20
IUPAC Name4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(CN2CCCCC2)cc1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H29ClN2O/c28-26-14-12-24(13-15-26)23-8-10-25(11-9-23)27(31)29-17-16-21-4-6-22(7-5-21)20-30-18-2-1-3-19-30/h4-15H,1-3,16-20H2,(H,29,31)
InChIKeyNYDXOPYTOGGQKB-UHFFFAOYSA-N
XLogP5.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.00
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 23090890
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-[3-(4-fluorophenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 46773438
6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 67070349
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 67974603
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide
CID 142872622
N-[2-(1H-imidazol-5-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 50982303

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide (CID 11743571) is 4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide is O=C(NCCc1ccc(CN2CCCCC2)cc1)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide?
The InChIKey is NYDXOPYTOGGQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O/c28-26-14-12-24(13-15-26)23-8-10-25(11-9-23)27(31)29-17-16-21-4-6-22(7-5-21)20-30-18-2-1-3-19-30/h4-15H,1-3,16-20H2,(H,29,31).
What are the key properties of 4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide?
4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide has a molecular weight of 433.00 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 11743571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).