N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide

C20H23Cl2N3O — CID 113109916

IUPACN-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)N1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23Cl2N3O/c1-15-14-18(22)6-7-19(15)23-20(26)25-12-10-24(11-13-25)9-8-16-2-4-17(21)5-3-16/h2-7,14H,8-13H2,1H3,(H,23,26)
InChIKeyHISBGOJDIGNTGO-UHFFFAOYSA-N
MW392.33 g/mol
LogP4.69
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide

N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113109916) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
PubChem CID113109916
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC NameN-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)N1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23Cl2N3O/c1-15-14-18(22)6-7-19(15)23-20(26)25-12-10-24(11-13-25)9-8-16-2-4-17(21)5-3-16/h2-7,14H,8-13H2,1H3,(H,23,26)
InChIKeyHISBGOJDIGNTGO-UHFFFAOYSA-N
XLogP4.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-chlorophenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109898
N-(2-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109911
4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6471022
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113109928
N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
CID 47031993
N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109387
4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113110975
N-(3-chloro-4-methylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113107888
N-(5-chloro-2-methylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113108965
4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113110971
N-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
CID 6470753

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide (CID 113109916) is N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide is Cc1cc(Cl)ccc1NC(=O)N1CCN(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is HISBGOJDIGNTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c1-15-14-18(22)6-7-19(15)23-20(26)25-12-10-24(11-13-25)9-8-16-2-4-17(21)5-3-16/h2-7,14H,8-13H2,1H3,(H,23,26).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide?
N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 392.33 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113109916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).