4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide

C19H21Cl2N3O — CID 113075230

IUPAC4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(CCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H21Cl2N3O/c20-16-7-6-15(18(21)14-16)8-9-23-10-12-24(13-11-23)19(25)22-17-4-2-1-3-5-17/h1-7,14H,8-13H2,(H,22,25)
InChIKeyCJOBNAKWHQUYQO-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.39
Rot. Bonds4

About 4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide

4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 113075230) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is 4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide
PubChem CID113075230
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(CCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H21Cl2N3O/c20-16-7-6-15(18(21)14-16)8-9-23-10-12-24(13-11-23)19(25)22-17-4-2-1-3-5-17/h1-7,14H,8-13H2,(H,22,25)
InChIKeyCJOBNAKWHQUYQO-UHFFFAOYSA-N
XLogP4.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2,4-dichlorophenyl)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 113103681
N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 110412057
1-[4-[2-(2,4-dichlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 113075198
N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110115
ethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate
CID 113075233
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293497
1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine
CID 113075244
4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252398
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113109928
N-(5-chloro-2-methylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113108965

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide (CID 113075230) is 4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(CCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is CJOBNAKWHQUYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c20-16-7-6-15(18(21)14-16)8-9-23-10-12-24(13-11-23)19(25)22-17-4-2-1-3-5-17/h1-7,14H,8-13H2,(H,22,25).
What are the key properties of 4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide?
4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 378.30 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 113075230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).