N-(4-chlorophenyl)-2-[(4-chlorophenyl)-[(4-cyanophenyl)methyl]hydrazinylidene]acetamide

C22H16Cl2N4O — CID 71151908

IUPACN-(4-chlorophenyl)-2-[(4-chlorophenyl)-[(4-cyanophenyl)methyl]hydrazinylidene]acetamide
SMILESN#Cc1ccc(CN(N=CC(=O)Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16Cl2N4O/c23-18-5-9-20(10-6-18)27-22(29)14-26-28(21-11-7-19(24)8-12-21)15-17-3-1-16(13-25)2-4-17/h1-12,14H,15H2,(H,27,29)
InChIKeyVNSIWPRLSHYOIE-UHFFFAOYSA-N
MW423.30 g/mol
LogP5.50
Rot. Bonds6

About N-(4-chlorophenyl)-2-[(4-chlorophenyl)-[(4-cyanophenyl)methyl]hydrazinylidene]acetamide

N-(4-chlorophenyl)-2-[(4-chlorophenyl)-[(4-cyanophenyl)methyl]hydrazinylidene]acetamide (PubChem CID 71151908) has the molecular formula C22H16Cl2N4O and a molecular weight of 423.30 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(4-chlorophenyl)-[(4-cyanophenyl)methyl]hydrazinylidene]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(4-chlorophenyl)-[(4-cyanophenyl)methyl]hydrazinylidene]acetamide
PubChem CID71151908
Molecular FormulaC22H16Cl2N4O
Molecular Weight423.30 g/mol
Exact Mass422.07
IUPAC NameN-(4-chlorophenyl)-2-[(4-chlorophenyl)-[(4-cyanophenyl)methyl]hydrazinylidene]acetamide
SMILESN#Cc1ccc(CN(N=CC(=O)Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16Cl2N4O/c23-18-5-9-20(10-6-18)27-22(29)14-26-28(21-11-7-19(24)8-12-21)15-17-3-1-16(13-25)2-4-17/h1-12,14H,15H2,(H,27,29)
InChIKeyVNSIWPRLSHYOIE-UHFFFAOYSA-N
XLogP5.50
TPSA68.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.30
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-(4-chlorophenyl)-2-[(4-cyanophenyl)methyl-[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide
CID 58765059
3-(4-chlorophenyl)-1-(4-cyanophenyl)-1-methylurea
CID 62983110
1-(4-chlorophenyl)-3-[2-(4-cyanophenyl)ethyl]urea
CID 155436717
[2-(4-chloroanilino)-2-oxoethyl]-[(4-cyanophenyl)methyl]-methylazanium
CID 9166886
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide
CID 26289781
N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969023
N-(5-chloro-2-fluorophenyl)-2-(4-cyanoanilino)acetamide
CID 51183099
3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057551
N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31988955
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 2699365

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(4-chlorophenyl)-[(4-cyanophenyl)methyl]hydrazinylidene]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(4-chlorophenyl)-[(4-cyanophenyl)methyl]hydrazinylidene]acetamide (CID 71151908) is N-(4-chlorophenyl)-2-[(4-chlorophenyl)-[(4-cyanophenyl)methyl]hydrazinylidene]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(4-chlorophenyl)-[(4-cyanophenyl)methyl]hydrazinylidene]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(4-chlorophenyl)-[(4-cyanophenyl)methyl]hydrazinylidene]acetamide is N#Cc1ccc(CN(N=CC(=O)Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(4-chlorophenyl)-[(4-cyanophenyl)methyl]hydrazinylidene]acetamide?
The InChIKey is VNSIWPRLSHYOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O/c23-18-5-9-20(10-6-18)27-22(29)14-26-28(21-11-7-19(24)8-12-21)15-17-3-1-16(13-25)2-4-17/h1-12,14H,15H2,(H,27,29).
What are the key properties of N-(4-chlorophenyl)-2-[(4-chlorophenyl)-[(4-cyanophenyl)methyl]hydrazinylidene]acetamide?
N-(4-chlorophenyl)-2-[(4-chlorophenyl)-[(4-cyanophenyl)methyl]hydrazinylidene]acetamide has a molecular weight of 423.30 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(4-chlorophenyl)-[(4-cyanophenyl)methyl]hydrazinylidene]acetamide is sourced from PubChem (CID 71151908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).