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

C17H16Cl3N3O — CID 113112852

IUPAC4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H16Cl3N3O/c18-12-5-6-15(14(20)11-12)21-17(24)23-9-7-22(8-10-23)16-4-2-1-3-13(16)19/h1-6,11H,7-10H2,(H,21,24)
InChIKeyLUCHKYWWPQNRTM-UHFFFAOYSA-N
MW384.69 g/mol
LogP5.00
Rot. Bonds2

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

4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 113112852) has the molecular formula C17H16Cl3N3O and a molecular weight of 384.69 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
PubChem CID113112852
Molecular FormulaC17H16Cl3N3O
Molecular Weight384.69 g/mol
Exact Mass383.04
IUPAC Name4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H16Cl3N3O/c18-12-5-6-15(14(20)11-12)21-17(24)23-9-7-22(8-10-23)16-4-2-1-3-13(16)19/h1-6,11H,7-10H2,(H,21,24)
InChIKeyLUCHKYWWPQNRTM-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-(2,4-dichlorophenyl)piperazine-1-carbothioamide
CID 20787689
4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 3669045
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 113114419
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083
4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide
CID 10194004
4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 23849763
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105994
4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 6467007
N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113207
4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 51250482

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide (CID 113112852) is 4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is LUCHKYWWPQNRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N3O/c18-12-5-6-15(14(20)11-12)21-17(24)23-9-7-22(8-10-23)16-4-2-1-3-13(16)19/h1-6,11H,7-10H2,(H,21,24).
What are the key properties of 4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide?
4-(2-chlorophenyl)-N-(2,4-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-(2,4-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).