(E)-3-(2,4-dichlorophenoxy)-N-(3H-indol-2-yl)prop-2-enehydrazide

C17H13Cl2N3O2 — CID 158653125

IUPAC(E)-3-(2,4-dichlorophenoxy)-N-(3H-indol-2-yl)prop-2-enehydrazide
SMILESNN(C(=O)/C=C/Oc1ccc(Cl)cc1Cl)C1=Nc2ccccc2C1
InChIInChI=1S/C17H13Cl2N3O2/c18-12-5-6-15(13(19)10-12)24-8-7-17(23)22(20)16-9-11-3-1-2-4-14(11)21-16/h1-8,10H,9,20H2/b8-7+
InChIKeyIBUJDXAZGRORCI-BQYQJAHWSA-N
MW362.22 g/mol
LogP3.87
Rot. Bonds3

About (E)-3-(2,4-dichlorophenoxy)-N-(3H-indol-2-yl)prop-2-enehydrazide

(E)-3-(2,4-dichlorophenoxy)-N-(3H-indol-2-yl)prop-2-enehydrazide (PubChem CID 158653125) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenoxy)-N-(3H-indol-2-yl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenoxy)-N-(3H-indol-2-yl)prop-2-enehydrazide
PubChem CID158653125
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name(E)-3-(2,4-dichlorophenoxy)-N-(3H-indol-2-yl)prop-2-enehydrazide
SMILESNN(C(=O)/C=C/Oc1ccc(Cl)cc1Cl)C1=Nc2ccccc2C1
InChIInChI=1S/C17H13Cl2N3O2/c18-12-5-6-15(13(19)10-12)24-8-7-17(23)22(20)16-9-11-3-1-2-4-14(11)21-16/h1-8,10H,9,20H2/b8-7+
InChIKeyIBUJDXAZGRORCI-BQYQJAHWSA-N
XLogP3.87
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

prop-2-ynyl 3-(2,4-dichlorophenoxy)prop-2-enoate
CID 3016818
cyanomethyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate
CID 6443043
(E)-3-(2,4-dichlorophenoxy)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27013707
bis(2,4-dichlorophenyl) pentanedioate
CID 91739168
(2,4-dichlorophenyl) 3-chlorobenzoate
CID 23011226
1-O-(3-chlorophenyl) 4-O-(2,4-dichlorophenyl) (E)-but-2-enedioate
CID 91734070
4-chloro-2-(3H-indol-2-yl)phenol
CID 158565703
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473
(2,4-dichlorophenyl) 2-hydroxybenzoate
CID 520433
3-(2,4-dichlorophenoxy)but-2-enoyl chloride
CID 139622060
methyl (E)-3-(4-chloro-2-formylphenoxy)prop-2-enoate
CID 102230344
2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7554951

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenoxy)-N-(3H-indol-2-yl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(2,4-dichlorophenoxy)-N-(3H-indol-2-yl)prop-2-enehydrazide (CID 158653125) is (E)-3-(2,4-dichlorophenoxy)-N-(3H-indol-2-yl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenoxy)-N-(3H-indol-2-yl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(2,4-dichlorophenoxy)-N-(3H-indol-2-yl)prop-2-enehydrazide is NN(C(=O)/C=C/Oc1ccc(Cl)cc1Cl)C1=Nc2ccccc2C1.
What is the InChIKey of (E)-3-(2,4-dichlorophenoxy)-N-(3H-indol-2-yl)prop-2-enehydrazide?
The InChIKey is IBUJDXAZGRORCI-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c18-12-5-6-15(13(19)10-12)24-8-7-17(23)22(20)16-9-11-3-1-2-4-14(11)21-16/h1-8,10H,9,20H2/b8-7+.
What are the key properties of (E)-3-(2,4-dichlorophenoxy)-N-(3H-indol-2-yl)prop-2-enehydrazide?
(E)-3-(2,4-dichlorophenoxy)-N-(3H-indol-2-yl)prop-2-enehydrazide has a molecular weight of 362.22 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenoxy)-N-(3H-indol-2-yl)prop-2-enehydrazide is sourced from PubChem (CID 158653125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).