(E)-N-chloro-3-(3-chlorophenyl)prop-2-enehydrazide

C9H8Cl2N2O — CID 141226455

IUPAC(E)-N-chloro-3-(3-chlorophenyl)prop-2-enehydrazide
SMILESNN(Cl)C(=O)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C9H8Cl2N2O/c10-8-3-1-2-7(6-8)4-5-9(14)13(11)12/h1-6H,12H2/b5-4+
InChIKeyANBCRNOMLJWLHU-SNAWJCMRSA-N
MW231.08 g/mol
LogP2.21
Rot. Bonds2

About (E)-N-chloro-3-(3-chlorophenyl)prop-2-enehydrazide

(E)-N-chloro-3-(3-chlorophenyl)prop-2-enehydrazide (PubChem CID 141226455) has the molecular formula C9H8Cl2N2O and a molecular weight of 231.08 g/mol. Its IUPAC name is (E)-N-chloro-3-(3-chlorophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N-chloro-3-(3-chlorophenyl)prop-2-enehydrazide
PubChem CID141226455
Molecular FormulaC9H8Cl2N2O
Molecular Weight231.08 g/mol
Exact Mass230.00
IUPAC Name(E)-N-chloro-3-(3-chlorophenyl)prop-2-enehydrazide
SMILESNN(Cl)C(=O)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C9H8Cl2N2O/c10-8-3-1-2-7(6-8)4-5-9(14)13(11)12/h1-6H,12H2/b5-4+
InChIKeyANBCRNOMLJWLHU-SNAWJCMRSA-N
XLogP2.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5377001
(E)-3-(3-chlorophenyl)-N-[7-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]heptyl]prop-2-enamide
CID 6167041
(E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide
CID 43577307
(E)-3-(3-chlorophenyl)-1-pyrrol-1-ylprop-2-en-1-one
CID 102332499
(E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one
CID 155817920
3-(3-chlorophenyl)-N-[2-(dimethylcarbamoylamino)ethyl]-N-methylprop-2-enamide
CID 91943847
[2-(dimethylamino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate
CID 5137847
(E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide
CID 115636575
3-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 896013
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
3-(3-chlorophenyl)-N-cyanoprop-2-enamide
CID 79195183
(E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418514

Frequently Asked Questions

What is the IUPAC name of (E)-N-chloro-3-(3-chlorophenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N-chloro-3-(3-chlorophenyl)prop-2-enehydrazide (CID 141226455) is (E)-N-chloro-3-(3-chlorophenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N-chloro-3-(3-chlorophenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N-chloro-3-(3-chlorophenyl)prop-2-enehydrazide is NN(Cl)C(=O)/C=C/c1cccc(Cl)c1.
What is the InChIKey of (E)-N-chloro-3-(3-chlorophenyl)prop-2-enehydrazide?
The InChIKey is ANBCRNOMLJWLHU-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H8Cl2N2O/c10-8-3-1-2-7(6-8)4-5-9(14)13(11)12/h1-6H,12H2/b5-4+.
What are the key properties of (E)-N-chloro-3-(3-chlorophenyl)prop-2-enehydrazide?
(E)-N-chloro-3-(3-chlorophenyl)prop-2-enehydrazide has a molecular weight of 231.08 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-chloro-3-(3-chlorophenyl)prop-2-enehydrazide is sourced from PubChem (CID 141226455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).