4-benzyl-N-[2-(2,4-dichlorophenyl)ethanehydrazonoyl]iminopiperazine-1-carboxamide

C20H22Cl2N6O — CID 70972589

IUPAC4-benzyl-N-[2-(2,4-dichlorophenyl)ethanehydrazonoyl]iminopiperazine-1-carboxamide
SMILESNN=C(Cc1ccc(Cl)cc1Cl)/N=N/C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22Cl2N6O/c21-17-7-6-16(18(22)13-17)12-19(24-23)25-26-20(29)28-10-8-27(9-11-28)14-15-4-2-1-3-5-15/h1-7,13H,8-12,14,23H2/b24-19?,26-25+
InChIKeyNWOJKGWFIMDIJB-DBQCWECDSA-N
MW433.34 g/mol
LogP4.20
Rot. Bonds4

About 4-benzyl-N-[2-(2,4-dichlorophenyl)ethanehydrazonoyl]iminopiperazine-1-carboxamide

4-benzyl-N-[2-(2,4-dichlorophenyl)ethanehydrazonoyl]iminopiperazine-1-carboxamide (PubChem CID 70972589) has the molecular formula C20H22Cl2N6O and a molecular weight of 433.34 g/mol. Its IUPAC name is 4-benzyl-N-[2-(2,4-dichlorophenyl)ethanehydrazonoyl]iminopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[2-(2,4-dichlorophenyl)ethanehydrazonoyl]iminopiperazine-1-carboxamide
PubChem CID70972589
Molecular FormulaC20H22Cl2N6O
Molecular Weight433.34 g/mol
Exact Mass432.12
IUPAC Name4-benzyl-N-[2-(2,4-dichlorophenyl)ethanehydrazonoyl]iminopiperazine-1-carboxamide
SMILESNN=C(Cc1ccc(Cl)cc1Cl)/N=N/C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22Cl2N6O/c21-17-7-6-16(18(22)13-17)12-19(24-23)25-26-20(29)28-10-8-27(9-11-28)14-15-4-2-1-3-5-15/h1-7,13H,8-12,14,23H2/b24-19?,26-25+
InChIKeyNWOJKGWFIMDIJB-DBQCWECDSA-N
XLogP4.20
TPSA86.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 56921578
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 55476319
1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 1187384
(4-benzyl-1,4-diazepan-1-yl)-(2,5-dichlorophenyl)methanone
CID 18157465
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 55475153
2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid
CID 43521392
4-benzyl-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]piperazine-1-carbothioamide
CID 19574255
N-(1-benzylpyrazol-4-yl)-4-[(2,4-dichlorophenyl)methyl]piperazine-1-carbothioamide
CID 19289357
1-[3-(4-benzylpiperazine-1-carbonyl)-6-chloroindol-1-yl]ethanone
CID 113213106
4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119832689
1-(1-benzyltriazol-4-yl)-2-(2,4-dichlorophenyl)ethanone
CID 56666169

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[2-(2,4-dichlorophenyl)ethanehydrazonoyl]iminopiperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[2-(2,4-dichlorophenyl)ethanehydrazonoyl]iminopiperazine-1-carboxamide (CID 70972589) is 4-benzyl-N-[2-(2,4-dichlorophenyl)ethanehydrazonoyl]iminopiperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[2-(2,4-dichlorophenyl)ethanehydrazonoyl]iminopiperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[2-(2,4-dichlorophenyl)ethanehydrazonoyl]iminopiperazine-1-carboxamide is NN=C(Cc1ccc(Cl)cc1Cl)/N=N/C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-[2-(2,4-dichlorophenyl)ethanehydrazonoyl]iminopiperazine-1-carboxamide?
The InChIKey is NWOJKGWFIMDIJB-DBQCWECDSA-N. The full InChI is InChI=1S/C20H22Cl2N6O/c21-17-7-6-16(18(22)13-17)12-19(24-23)25-26-20(29)28-10-8-27(9-11-28)14-15-4-2-1-3-5-15/h1-7,13H,8-12,14,23H2/b24-19?,26-25+.
What are the key properties of 4-benzyl-N-[2-(2,4-dichlorophenyl)ethanehydrazonoyl]iminopiperazine-1-carboxamide?
4-benzyl-N-[2-(2,4-dichlorophenyl)ethanehydrazonoyl]iminopiperazine-1-carboxamide has a molecular weight of 433.34 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[2-(2,4-dichlorophenyl)ethanehydrazonoyl]iminopiperazine-1-carboxamide is sourced from PubChem (CID 70972589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).