N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide

C17H16Cl3N3O — CID 113113026

IUPACN-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C17H16Cl3N3O/c18-12-4-6-13(7-5-12)21-17(24)23-10-8-22(9-11-23)15-3-1-2-14(19)16(15)20/h1-7H,8-11H2,(H,21,24)
InChIKeyQZTAVQAJHCCFOK-UHFFFAOYSA-N
MW384.69 g/mol
LogP5.00
Rot. Bonds2

About N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide

N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 113113026) has the molecular formula C17H16Cl3N3O and a molecular weight of 384.69 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
PubChem CID113113026
Molecular FormulaC17H16Cl3N3O
Molecular Weight384.69 g/mol
Exact Mass383.04
IUPAC NameN-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C17H16Cl3N3O/c18-12-4-6-13(7-5-12)21-17(24)23-10-8-22(9-11-23)15-3-1-2-14(19)16(15)20/h1-7H,8-11H2,(H,21,24)
InChIKeyQZTAVQAJHCCFOK-UHFFFAOYSA-N
XLogP5.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carbothioamide
CID 162655838
N-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 113114825
4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide
CID 113076745
4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide
CID 113080443
methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113008
4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 3669045
N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 3787929
methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate
CID 113080518
4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 113113017
N-(4-bromophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carbothioamide
CID 162659951
N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 113114814
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 113112852

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide (CID 113113026) is N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is QZTAVQAJHCCFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N3O/c18-12-4-6-13(7-5-12)21-17(24)23-10-8-22(9-11-23)15-3-1-2-14(19)16(15)20/h1-7H,8-11H2,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide has a molecular weight of 384.69 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).