(E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide

C18H18ClNO4 — CID 17393859

IUPAC(E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(OC)c(Cl)c2)c(OC)c1
InChIInChI=1S/C18H18ClNO4/c1-22-13-6-7-15(17(11-13)24-3)20-18(21)9-5-12-4-8-16(23-2)14(19)10-12/h4-11H,1-3H3,(H,20,21)/b9-5+
InChIKeyLBFOMQYAVKYCTE-WEVVVXLNSA-N
MW347.80 g/mol
LogP4.02
Rot. Bonds6

About (E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide

(E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 17393859) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is (E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide
PubChem CID17393859
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name(E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(OC)c(Cl)c2)c(OC)c1
InChIInChI=1S/C18H18ClNO4/c1-22-13-6-7-15(17(11-13)24-3)20-18(21)9-5-12-4-8-16(23-2)14(19)10-12/h4-11H,1-3H3,(H,20,21)/b9-5+
InChIKeyLBFOMQYAVKYCTE-WEVVVXLNSA-N
XLogP4.02
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 732460
N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 680257
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 60576632
N-(2-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 103598924
(E)-N-(2,4-dimethoxyphenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 18272734
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
(E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
CID 51057389
(E)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide
CID 51057386
N-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
CID 4093038
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 881730
(E)-3-[4-(cyanomethoxy)phenyl]-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 26734981
N-(2,4-dimethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4015229

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide (CID 17393859) is (E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccc(OC)c(Cl)c2)c(OC)c1.
What is the InChIKey of (E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is LBFOMQYAVKYCTE-WEVVVXLNSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-22-13-6-7-15(17(11-13)24-3)20-18(21)9-5-12-4-8-16(23-2)14(19)10-12/h4-11H,1-3H3,(H,20,21)/b9-5+.
What are the key properties of (E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide?
(E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 347.80 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 17393859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).