(E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide

C19H20ClNO3 — CID 84575680

IUPAC(E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide
SMILESCOc1ccc(/C=C(\C)C(=O)Nc2cc(Cl)ccc2C)cc1OC
InChIInChI=1S/C19H20ClNO3/c1-12-5-7-15(20)11-16(12)21-19(22)13(2)9-14-6-8-17(23-3)18(10-14)24-4/h5-11H,1-4H3,(H,21,22)/b13-9+
InChIKeyXNRUPDYEYNHRRU-UKTHLTGXSA-N
MW345.83 g/mol
LogP4.71
Rot. Bonds5

About (E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide

(E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide (PubChem CID 84575680) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is (E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide
PubChem CID84575680
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name(E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide
SMILESCOc1ccc(/C=C(\C)C(=O)Nc2cc(Cl)ccc2C)cc1OC
InChIInChI=1S/C19H20ClNO3/c1-12-5-7-15(20)11-16(12)21-19(22)13(2)9-14-6-8-17(23-3)18(10-14)24-4/h5-11H,1-4H3,(H,21,22)/b13-9+
InChIKeyXNRUPDYEYNHRRU-UKTHLTGXSA-N
XLogP4.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.71
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

N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6302384
(E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 6261301
(E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 7763551
N,N'-bis(5-chloro-2-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]propanediamide
CID 4844436
N-[(E)-3-(5-chloro-2-methylanilino)-3-oxo-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
CID 46497095
(E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide
CID 84575847
ethyl 4-[[(E)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enoyl]amino]benzoate
CID 13205833
N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide
CID 45000696
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 8741237
(Z)-N-(5-chloro-2-methylphenyl)-2-cyano-3-[1-(3,4-dimethoxyphenyl)ethylamino]prop-2-enamide
CID 108849972
methyl 2-[4-[(E)-3-(5-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetate
CID 1277846
3-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]-N-(5-chloro-2-methylphenyl)-2-cyanoprop-2-enamide
CID 4255159

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide?
The IUPAC name of (E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide (CID 84575680) is (E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide?
The canonical SMILES for (E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide is COc1ccc(/C=C(\C)C(=O)Nc2cc(Cl)ccc2C)cc1OC.
What is the InChIKey of (E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide?
The InChIKey is XNRUPDYEYNHRRU-UKTHLTGXSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-12-5-7-15(20)11-16(12)21-19(22)13(2)9-14-6-8-17(23-3)18(10-14)24-4/h5-11H,1-4H3,(H,21,22)/b13-9+.
What are the key properties of (E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide?
(E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide has a molecular weight of 345.83 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 84575680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).