(E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide

C15H11Cl3N2O — CID 28867729

IUPAC(E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESNc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl3N2O/c16-10-3-1-9(12(17)7-10)2-6-15(21)20-14-5-4-11(19)8-13(14)18/h1-8H,19H2,(H,20,21)/b6-2+
InChIKeyUODLRBRXRGAXQG-QHHAFSJGSA-N
MW341.63 g/mol
LogP4.88
Rot. Bonds3

About (E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide

(E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 28867729) has the molecular formula C15H11Cl3N2O and a molecular weight of 341.63 g/mol. Its IUPAC name is (E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID28867729
Molecular FormulaC15H11Cl3N2O
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name(E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESNc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl3N2O/c16-10-3-1-9(12(17)7-10)2-6-15(21)20-14-5-4-11(19)8-13(14)18/h1-8H,19H2,(H,20,21)/b6-2+
InChIKeyUODLRBRXRGAXQG-QHHAFSJGSA-N
XLogP4.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
(E)-3-(2,4-dichlorophenyl)-N-[4-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-3-methylphenyl]-2-methylphenyl]prop-2-enamide
CID 6015566
3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700917
(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700919
(E)-N-(4-bromo-2-methylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 1325728
3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide
CID 897133
3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 4004961
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 1181184
(E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 1290272
3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide
CID 4745023
3-(2,4-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 3606072

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide (CID 28867729) is (E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide is Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of (E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is UODLRBRXRGAXQG-QHHAFSJGSA-N. The full InChI is InChI=1S/C15H11Cl3N2O/c16-10-3-1-9(12(17)7-10)2-6-15(21)20-14-5-4-11(19)8-13(14)18/h1-8H,19H2,(H,20,21)/b6-2+.
What are the key properties of (E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
(E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 341.63 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 28867729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).