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

C20H23ClN2O — CID 94773934

IUPACN-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C20H23ClN2O/c21-19-9-5-16(6-10-19)11-12-22-20(24)18-7-3-17(4-8-18)15-23-13-1-2-14-23/h3-10H,1-2,11-15H2,(H,22,24)
InChIKeyMYEMVWHPCXERAO-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.91
Rot. Bonds6

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

N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 94773934) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID94773934
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C20H23ClN2O/c21-19-9-5-16(6-10-19)11-12-22-20(24)18-7-3-17(4-8-18)15-23-13-1-2-14-23/h3-10H,1-2,11-15H2,(H,22,24)
InChIKeyMYEMVWHPCXERAO-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 11743571
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-[3-(4-fluorophenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 46773438
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 67974603
N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide
CID 142872622
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
CID 166746759
1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044439

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide (CID 94773934) is N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide is O=C(NCCc1ccc(Cl)cc1)c1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is MYEMVWHPCXERAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c21-19-9-5-16(6-10-19)11-12-22-20(24)18-7-3-17(4-8-18)15-23-13-1-2-14-23/h3-10H,1-2,11-15H2,(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 342.87 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 94773934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).