N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide

C18H14Cl2N4O2 — CID 136858110

IUPACN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(N/N=C\c1cc(Cl)cc(Cl)c1O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H14Cl2N4O2/c19-15-8-14(17(25)16(20)9-15)10-21-23-18(26)13-4-1-3-12(7-13)11-24-6-2-5-22-24/h1-10,25H,11H2,(H,23,26)/b21-10-
InChIKeyHLIYEJAJVMCYJQ-FBHDLOMBSA-N
MW389.24 g/mol
LogP3.71
Rot. Bonds5

About N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide

N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 136858110) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID136858110
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC NameN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(N/N=C\c1cc(Cl)cc(Cl)c1O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H14Cl2N4O2/c19-15-8-14(17(25)16(20)9-15)10-21-23-18(26)13-4-1-3-12(7-13)11-24-6-2-5-22-24/h1-10,25H,11H2,(H,23,26)/b21-10-
InChIKeyHLIYEJAJVMCYJQ-FBHDLOMBSA-N
XLogP3.71
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 725007
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 1268478
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 135688732
N-[(3-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724894
3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
CID 5397773
N-[(6-methyl-2-pyridinyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724913
N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724961
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135623996
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide
CID 137167158
4-(dihydroxyamino)-2-nitro-6-[(E)-[[3-(pyrazol-1-ylmethyl)benzoyl]hydrazinylidene]methyl]phenolate
CID 137215945
3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
CID 137361735
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136794136

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide (CID 136858110) is N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide is O=C(N/N=C\c1cc(Cl)cc(Cl)c1O)c1cccc(Cn2cccn2)c1.
What is the InChIKey of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is HLIYEJAJVMCYJQ-FBHDLOMBSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c19-15-8-14(17(25)16(20)9-15)10-21-23-18(26)13-4-1-3-12(7-13)11-24-6-2-5-22-24/h1-10,25H,11H2,(H,23,26)/b21-10-.
What are the key properties of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 389.24 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 136858110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).