2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide

C18H14Cl2N4O — CID 1014831

IUPAC2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
SMILESCc1ccc(-c2[nH]ncc2C=NNC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H14Cl2N4O/c1-11-2-4-12(5-3-11)17-13(9-21-23-17)10-22-24-18(25)15-8-14(19)6-7-16(15)20/h2-10H,1H3,(H,21,23)(H,24,25)
InChIKeyWCBWBYOWTFONBA-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.46
Rot. Bonds4

About 2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide

2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide (PubChem CID 1014831) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
PubChem CID1014831
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
SMILESCc1ccc(-c2[nH]ncc2C=NNC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H14Cl2N4O/c1-11-2-4-12(5-3-11)17-13(9-21-23-17)10-22-24-18(25)15-8-14(19)6-7-16(15)20/h2-10H,1H3,(H,21,23)(H,24,25)
InChIKeyWCBWBYOWTFONBA-UHFFFAOYSA-N
XLogP4.46
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-chloro-2-methoxy-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135683238
4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135892472
N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 135647508
N-[(E)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-2-carboxamide
CID 135621572
N-[(E)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 135588704
N-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 1027984
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4-nitrobenzamide
CID 4748531
N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide
CID 136728460
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
CID 136900537
N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide
CID 136728466
2,2-dibromo-1-methyl-N-[(E)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]cyclopropane-1-carboxamide
CID 135533643
2-(4-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
CID 136807840

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide?
The IUPAC name of 2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide (CID 1014831) is 2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide?
The canonical SMILES for 2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide is Cc1ccc(-c2[nH]ncc2C=NNC(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide?
The InChIKey is WCBWBYOWTFONBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-11-2-4-12(5-3-11)17-13(9-21-23-17)10-22-24-18(25)15-8-14(19)6-7-16(15)20/h2-10H,1H3,(H,21,23)(H,24,25).
What are the key properties of 2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide?
2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide has a molecular weight of 373.24 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide is sourced from PubChem (CID 1014831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).