N-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide

C19H16Cl2N4O2 — CID 1027984

IUPACN-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2cn[nH]c2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H16Cl2N4O2/c1-12-2-5-15(6-3-12)27-11-18(26)24-22-9-14-10-23-25-19(14)13-4-7-16(20)17(21)8-13/h2-10H,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyNHIKNDVPVKSLFG-UHFFFAOYSA-N
MW403.27 g/mol
LogP4.22
Rot. Bonds6

About N-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide

N-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide (PubChem CID 1027984) has the molecular formula C19H16Cl2N4O2 and a molecular weight of 403.27 g/mol. Its IUPAC name is N-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
PubChem CID1027984
Molecular FormulaC19H16Cl2N4O2
Molecular Weight403.27 g/mol
Exact Mass402.07
IUPAC NameN-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2cn[nH]c2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H16Cl2N4O2/c1-12-2-5-15(6-3-12)27-11-18(26)24-22-9-14-10-23-25-19(14)13-4-7-16(20)17(21)8-13/h2-10H,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyNHIKNDVPVKSLFG-UHFFFAOYSA-N
XLogP4.22
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 54.22
H-Bond Donors ≤ 52
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

2-(4-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
CID 136807840
2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
CID 4176450
2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 1014831
2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 136913658
2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 3895912
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
2-(4-chlorophenoxy)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 135533084
2-(4-methylphenoxy)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 867406
2-(4-chloro-3-methylphenoxy)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 135643954
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 39819572
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 19182388
N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]hexadecanamide
CID 135647384

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide (CID 1027984) is N-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NN=Cc2cn[nH]c2-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide?
The InChIKey is NHIKNDVPVKSLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O2/c1-12-2-5-15(6-3-12)27-11-18(26)24-22-9-14-10-23-25-19(14)13-4-7-16(20)17(21)8-13/h2-10H,11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide?
N-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide has a molecular weight of 403.27 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 1027984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).