4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide

C17H16Cl3N3O — CID 3669045

IUPAC4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H16Cl3N3O/c18-12-4-1-2-7-15(12)22-8-10-23(11-9-22)17(24)21-16-13(19)5-3-6-14(16)20/h1-7H,8-11H2,(H,21,24)
InChIKeyLXBGMOCIGVCVGC-UHFFFAOYSA-N
MW384.69 g/mol
LogP5.00
Rot. Bonds2

About 4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide

4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 3669045) has the molecular formula C17H16Cl3N3O and a molecular weight of 384.69 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
PubChem CID3669045
Molecular FormulaC17H16Cl3N3O
Molecular Weight384.69 g/mol
Exact Mass383.04
IUPAC Name4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H16Cl3N3O/c18-12-4-1-2-7-15(12)22-8-10-23(11-9-22)17(24)21-16-13(19)5-3-6-14(16)20/h1-7H,8-11H2,(H,21,24)
InChIKeyLXBGMOCIGVCVGC-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

4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 23849763
N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide
CID 108988464
4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 59419439
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 113112852
N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide
CID 108896638
4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide
CID 113076745
N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 3696119
4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide
CID 10194004
N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 113113026
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide
CID 113080443
N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide
CID 3398224

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide (CID 3669045) is 4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide is O=C(Nc1c(Cl)cccc1Cl)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is LXBGMOCIGVCVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N3O/c18-12-4-1-2-7-15(12)22-8-10-23(11-9-22)17(24)21-16-13(19)5-3-6-14(16)20/h1-7H,8-11H2,(H,21,24).
What are the key properties of 4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide?
4-(2-chlorophenyl)-N-(2,6-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 4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3669045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).