(E)-3-(2,4-dimethoxyphenyl)-N'-(2,4,6-trichlorophenyl)prop-2-enehydrazide

C17H15Cl3N2O3 — CID 26591449

IUPAC(E)-3-(2,4-dimethoxyphenyl)-N'-(2,4,6-trichlorophenyl)prop-2-enehydrazide
SMILESCOc1ccc(/C=C/C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C17H15Cl3N2O3/c1-24-12-5-3-10(15(9-12)25-2)4-6-16(23)21-22-17-13(19)7-11(18)8-14(17)20/h3-9,22H,1-2H3,(H,21,23)/b6-4+
InChIKeySMNOVBRUWIERLF-GQCTYLIASA-N
MW401.68 g/mol
LogP4.82
Rot. Bonds6

About (E)-3-(2,4-dimethoxyphenyl)-N'-(2,4,6-trichlorophenyl)prop-2-enehydrazide

(E)-3-(2,4-dimethoxyphenyl)-N'-(2,4,6-trichlorophenyl)prop-2-enehydrazide (PubChem CID 26591449) has the molecular formula C17H15Cl3N2O3 and a molecular weight of 401.68 g/mol. Its IUPAC name is (E)-3-(2,4-dimethoxyphenyl)-N'-(2,4,6-trichlorophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(2,4-dimethoxyphenyl)-N'-(2,4,6-trichlorophenyl)prop-2-enehydrazide
PubChem CID26591449
Molecular FormulaC17H15Cl3N2O3
Molecular Weight401.68 g/mol
Exact Mass400.01
IUPAC Name(E)-3-(2,4-dimethoxyphenyl)-N'-(2,4,6-trichlorophenyl)prop-2-enehydrazide
SMILESCOc1ccc(/C=C/C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C17H15Cl3N2O3/c1-24-12-5-3-10(15(9-12)25-2)4-6-16(23)21-22-17-13(19)7-11(18)8-14(17)20/h3-9,22H,1-2H3,(H,21,23)/b6-4+
InChIKeySMNOVBRUWIERLF-GQCTYLIASA-N
XLogP4.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.68
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
(4-chlorophenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 732877
(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 10614151
(2R)-2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 92920815
2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 82043566
3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 794857
(E)-4-(2,4-dimethoxyphenyl)-2-oxobut-3-enoic acid
CID 82159207
N-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 3598582
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 75910349
(E)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 16567964
1-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one
CID 175699870
2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylpentanamide
CID 78773077

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N'-(2,4,6-trichlorophenyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N'-(2,4,6-trichlorophenyl)prop-2-enehydrazide (CID 26591449) is (E)-3-(2,4-dimethoxyphenyl)-N'-(2,4,6-trichlorophenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(2,4-dimethoxyphenyl)-N'-(2,4,6-trichlorophenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(2,4-dimethoxyphenyl)-N'-(2,4,6-trichlorophenyl)prop-2-enehydrazide is COc1ccc(/C=C/C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c(OC)c1.
What is the InChIKey of (E)-3-(2,4-dimethoxyphenyl)-N'-(2,4,6-trichlorophenyl)prop-2-enehydrazide?
The InChIKey is SMNOVBRUWIERLF-GQCTYLIASA-N. The full InChI is InChI=1S/C17H15Cl3N2O3/c1-24-12-5-3-10(15(9-12)25-2)4-6-16(23)21-22-17-13(19)7-11(18)8-14(17)20/h3-9,22H,1-2H3,(H,21,23)/b6-4+.
What are the key properties of (E)-3-(2,4-dimethoxyphenyl)-N'-(2,4,6-trichlorophenyl)prop-2-enehydrazide?
(E)-3-(2,4-dimethoxyphenyl)-N'-(2,4,6-trichlorophenyl)prop-2-enehydrazide has a molecular weight of 401.68 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethoxyphenyl)-N'-(2,4,6-trichlorophenyl)prop-2-enehydrazide is sourced from PubChem (CID 26591449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).