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

C17H18Cl2N4O — CID 59419439

IUPAC4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
SMILESNc1ccc(N2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C17H18Cl2N4O/c18-14-2-1-3-15(19)16(14)21-17(24)23-10-8-22(9-11-23)13-6-4-12(20)5-7-13/h1-7H,8-11,20H2,(H,21,24)
InChIKeySDZDGODYGPTJKZ-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.93
Rot. Bonds2

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

4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 59419439) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
PubChem CID59419439
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC Name4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
SMILESNc1ccc(N2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C17H18Cl2N4O/c18-14-2-1-3-15(19)16(14)21-17(24)23-10-8-22(9-11-23)13-6-4-12(20)5-7-13/h1-7H,8-11,20H2,(H,21,24)
InChIKeySDZDGODYGPTJKZ-UHFFFAOYSA-N
XLogP3.93
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 3669045
N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide
CID 108896638
N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide
CID 108988464
4-[4-(3-aminobutanoylamino)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 70863115
4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide
CID 167764760
ethyl 3-[4-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]anilino]-3-oxopropanoate
CID 58258592
4-(3-chloro-4-methylphenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111875
N-[4-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]phenyl]-N',N'-dimethylbutanediamide
CID 58258395
4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide
CID 4985902
N-(2,6-dichlorophenyl)-4-[4-(3-phenoxypropanoylamino)phenyl]piperazine-1-carboxamide
CID 58258409
4-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 58258690
N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 86795696

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide (CID 59419439) is 4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide is Nc1ccc(N2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is SDZDGODYGPTJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O/c18-14-2-1-3-15(19)16(14)21-17(24)23-10-8-22(9-11-23)13-6-4-12(20)5-7-13/h1-7H,8-11,20H2,(H,21,24).
What are the key properties of 4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide?
4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide has a molecular weight of 365.26 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 59419439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).