N-[2,3-bis(4-chlorophenyl)butyl]-2-(4-phenylpiperazin-1-yl)acetamide

C28H31Cl2N3O — CID 69147346

IUPACN-[2,3-bis(4-chlorophenyl)butyl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC(c1ccc(Cl)cc1)C(CNC(=O)CN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C28H31Cl2N3O/c1-21(22-7-11-24(29)12-8-22)27(23-9-13-25(30)14-10-23)19-31-28(34)20-32-15-17-33(18-16-32)26-5-3-2-4-6-26/h2-14,21,27H,15-20H2,1H3,(H,31,34)
InChIKeyLOTNUGYTHBLYIM-UHFFFAOYSA-N
MW496.48 g/mol
LogP5.82
Rot. Bonds8

About N-[2,3-bis(4-chlorophenyl)butyl]-2-(4-phenylpiperazin-1-yl)acetamide

N-[2,3-bis(4-chlorophenyl)butyl]-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 69147346) has the molecular formula C28H31Cl2N3O and a molecular weight of 496.48 g/mol. Its IUPAC name is N-[2,3-bis(4-chlorophenyl)butyl]-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2,3-bis(4-chlorophenyl)butyl]-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID69147346
Molecular FormulaC28H31Cl2N3O
Molecular Weight496.48 g/mol
Exact Mass495.18
IUPAC NameN-[2,3-bis(4-chlorophenyl)butyl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC(c1ccc(Cl)cc1)C(CNC(=O)CN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C28H31Cl2N3O/c1-21(22-7-11-24(29)12-8-22)27(23-9-13-25(30)14-10-23)19-31-28(34)20-32-15-17-33(18-16-32)26-5-3-2-4-6-26/h2-14,21,27H,15-20H2,1H3,(H,31,34)
InChIKeyLOTNUGYTHBLYIM-UHFFFAOYSA-N
XLogP5.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.48
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Benzyl-1-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 1206470
4-[2-(4-Chlorophenyl)ethylamino]-~{n}-[4-(4-Methylpiperazin-1-Yl)phenyl]-2-Oxidanylidene-1~{h}-Pyridine-3-Carboxamide
CID 102515536
N-[4-(4-benzyl-1-piperazinyl)phenyl]-N-(4-chlorobenzyl)amine
CID 1017282
N-(2-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4647384
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6466542
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 6470463
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 8071321
N-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 1342233
4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 6465286
2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)-ethanone
CID 9843031
2-{4-[(4-Chlorophenyl)methyl]piperazinyl}-1-(3-methylindolinyl)ethan-1-one
CID 9843032
(E)-3-(4'-chlorobiphenyl-4-yl)-N-(4-piperidin-1-ylmethylphenyl)acrylamide
CID 9980157

Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(4-chlorophenyl)butyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2,3-bis(4-chlorophenyl)butyl]-2-(4-phenylpiperazin-1-yl)acetamide (CID 69147346) is N-[2,3-bis(4-chlorophenyl)butyl]-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2,3-bis(4-chlorophenyl)butyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2,3-bis(4-chlorophenyl)butyl]-2-(4-phenylpiperazin-1-yl)acetamide is CC(c1ccc(Cl)cc1)C(CNC(=O)CN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2,3-bis(4-chlorophenyl)butyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is LOTNUGYTHBLYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31Cl2N3O/c1-21(22-7-11-24(29)12-8-22)27(23-9-13-25(30)14-10-23)19-31-28(34)20-32-15-17-33(18-16-32)26-5-3-2-4-6-26/h2-14,21,27H,15-20H2,1H3,(H,31,34).
What are the key properties of N-[2,3-bis(4-chlorophenyl)butyl]-2-(4-phenylpiperazin-1-yl)acetamide?
N-[2,3-bis(4-chlorophenyl)butyl]-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 496.48 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(4-chlorophenyl)butyl]-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 69147346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).