4-[2-[3,5-dichloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzohydrazide

C23H23Cl2N3O3 — CID 59405877

IUPAC4-[2-[3,5-dichloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzohydrazide
SMILESCCc1cccc(OCc2c(Cl)cc(Cl)c(=O)n2CCc2ccc(C(=O)NN)cc2)c1
InChIInChI=1S/C23H23Cl2N3O3/c1-2-15-4-3-5-18(12-15)31-14-21-19(24)13-20(25)23(30)28(21)11-10-16-6-8-17(9-7-16)22(29)27-26/h3-9,12-13H,2,10-11,14,26H2,1H3,(H,27,29)
InChIKeyHUQZJKCMHPZZSW-UHFFFAOYSA-N
MW460.36 g/mol
LogP4.14
Rot. Bonds8

About 4-[2-[3,5-dichloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzohydrazide

4-[2-[3,5-dichloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzohydrazide (PubChem CID 59405877) has the molecular formula C23H23Cl2N3O3 and a molecular weight of 460.36 g/mol. Its IUPAC name is 4-[2-[3,5-dichloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzohydrazide.

Molecular Properties

Compound Name4-[2-[3,5-dichloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzohydrazide
PubChem CID59405877
Molecular FormulaC23H23Cl2N3O3
Molecular Weight460.36 g/mol
Exact Mass459.11
IUPAC Name4-[2-[3,5-dichloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzohydrazide
SMILESCCc1cccc(OCc2c(Cl)cc(Cl)c(=O)n2CCc2ccc(C(=O)NN)cc2)c1
InChIInChI=1S/C23H23Cl2N3O3/c1-2-15-4-3-5-18(12-15)31-14-21-19(24)13-20(25)23(30)28(21)11-10-16-6-8-17(9-7-16)22(29)27-26/h3-9,12-13H,2,10-11,14,26H2,1H3,(H,27,29)
InChIKeyHUQZJKCMHPZZSW-UHFFFAOYSA-N
XLogP4.14
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.36
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

methyl 4-[2-[5-bromo-3-chloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzoate
CID 59405885
(E)-3-[4-[2-[3,5-dichloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]phenyl]prop-2-enoic acid
CID 59405966
amino 4-[2-[3,5-dichloro-2-oxo-6-[(3-phenylphenoxy)methyl]-1-pyridinyl]ethyl]benzoate
CID 70916967
methyl 4-[2-[3,5-dichloro-2-[(3-cyclobutyloxyphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzoate
CID 59406094
4-[2-[3,5-dichloro-2-oxo-6-[[3-(trifluoromethyl)phenoxy]methyl]-1-pyridinyl]ethyl]benzoic acid
CID 59405987
methyl 4-[2-[3,5-dichloro-4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzoate
CID 59405994
3,5-dichloro-6-[(3-ethylphenoxy)methyl]-1-[2-[4-(2-oxo-5H-1,2,3,5-oxathiadiazol-4-yl)phenyl]ethyl]pyridin-2-one
CID 70916983
amino 4-[2-[3,5-dichloro-2-[(2-ethoxyphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzoate
CID 70916972
amino 4-[2-[3,5-dicyclopropyl-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzoate
CID 70916978
3,5-dichloro-1-[2-(4-methylphenyl)ethyl]-6-[(3-phenylphenoxy)methyl]pyridin-2-one
CID 59406023
4-[2-[3,5-dichloro-2-oxo-6-[[3-(trifluoromethoxy)phenoxy]methyl]-1-pyridinyl]ethyl]-2-ethoxybenzoic acid
CID 59405924
methyl 4-[2-[3,5-dichloro-2-[(3-ethylphenyl)carbamoyl]-6-oxo-1-pyridinyl]ethyl]benzoate
CID 67027356

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,5-dichloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzohydrazide?
The IUPAC name of 4-[2-[3,5-dichloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzohydrazide (CID 59405877) is 4-[2-[3,5-dichloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzohydrazide.
What is the SMILES notation for 4-[2-[3,5-dichloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzohydrazide?
The canonical SMILES for 4-[2-[3,5-dichloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzohydrazide is CCc1cccc(OCc2c(Cl)cc(Cl)c(=O)n2CCc2ccc(C(=O)NN)cc2)c1.
What is the InChIKey of 4-[2-[3,5-dichloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzohydrazide?
The InChIKey is HUQZJKCMHPZZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O3/c1-2-15-4-3-5-18(12-15)31-14-21-19(24)13-20(25)23(30)28(21)11-10-16-6-8-17(9-7-16)22(29)27-26/h3-9,12-13H,2,10-11,14,26H2,1H3,(H,27,29).
What are the key properties of 4-[2-[3,5-dichloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzohydrazide?
4-[2-[3,5-dichloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzohydrazide has a molecular weight of 460.36 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,5-dichloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzohydrazide is sourced from PubChem (CID 59405877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).