methyl (Z)-3-(2,4-dichloroanilino)prop-2-enoate

C10H9Cl2NO2 — CID 134105159

IUPACmethyl (Z)-3-(2,4-dichloroanilino)prop-2-enoate
SMILESCOC(=O)/C=C\Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO2/c1-15-10(14)4-5-13-9-3-2-7(11)6-8(9)12/h2-6,13H,1H3/b5-4-
InChIKeyXVSICXZVFITWQH-PLNGDYQASA-N
MW246.09 g/mol
LogP3.09
Rot. Bonds3

About methyl (Z)-3-(2,4-dichloroanilino)prop-2-enoate

methyl (Z)-3-(2,4-dichloroanilino)prop-2-enoate (PubChem CID 134105159) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is methyl (Z)-3-(2,4-dichloroanilino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(2,4-dichloroanilino)prop-2-enoate
PubChem CID134105159
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Namemethyl (Z)-3-(2,4-dichloroanilino)prop-2-enoate
SMILESCOC(=O)/C=C\Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO2/c1-15-10(14)4-5-13-9-3-2-7(11)6-8(9)12/h2-6,13H,1H3/b5-4-
InChIKeyXVSICXZVFITWQH-PLNGDYQASA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-(5-chloro-2-methoxyanilino)prop-2-enoate
CID 103233655
methyl (E)-3-[4-chloro-2-(trifluoromethyl)anilino]prop-2-enoate
CID 103233172
methyl (E)-3-(2-chloro-5-methylanilino)prop-2-enoate
CID 107636539
(Z)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)prop-2-en-1-one
CID 18528061
methyl (E)-3-[2-chloro-5-(trifluoromethyl)anilino]prop-2-enoate
CID 103231322
(E)-3-(2-chloro-4-methylanilino)prop-2-enoic acid
CID 103236417
(E)-1-(2,4-dichlorophenyl)-3-(2-methoxyanilino)prop-2-en-1-one
CID 126182433
(E)-1-(2,4-dichlorophenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one
CID 126106903
(E)-3-(4-chloro-2-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 6188155
3-(4-chloro-2-hydroxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 870858
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
1-(2,4-dichlorophenyl)-3-(2-methoxy-4-nitroanilino)prop-2-en-1-one
CID 2909569

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(2,4-dichloroanilino)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(2,4-dichloroanilino)prop-2-enoate (CID 134105159) is methyl (Z)-3-(2,4-dichloroanilino)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(2,4-dichloroanilino)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(2,4-dichloroanilino)prop-2-enoate is COC(=O)/C=C\Nc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl (Z)-3-(2,4-dichloroanilino)prop-2-enoate?
The InChIKey is XVSICXZVFITWQH-PLNGDYQASA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c1-15-10(14)4-5-13-9-3-2-7(11)6-8(9)12/h2-6,13H,1H3/b5-4-.
What are the key properties of methyl (Z)-3-(2,4-dichloroanilino)prop-2-enoate?
methyl (Z)-3-(2,4-dichloroanilino)prop-2-enoate has a molecular weight of 246.09 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(2,4-dichloroanilino)prop-2-enoate is sourced from PubChem (CID 134105159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).