(E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide

C18H16ClF2NO4 — CID 16594479

IUPAC(E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
SMILESCOc1cc(OC)c(NC(=O)/C=C/c2ccccc2OC(F)F)cc1Cl
InChIInChI=1S/C18H16ClF2NO4/c1-24-15-10-16(25-2)13(9-12(15)19)22-17(23)8-7-11-5-3-4-6-14(11)26-18(20)21/h3-10,18H,1-2H3,(H,22,23)/b8-7+
InChIKeyGEDVXLCCEPONFP-BQYQJAHWSA-N
MW383.78 g/mol
LogP4.61
Rot. Bonds7

About (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide

(E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide (PubChem CID 16594479) has the molecular formula C18H16ClF2NO4 and a molecular weight of 383.78 g/mol. Its IUPAC name is (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
PubChem CID16594479
Molecular FormulaC18H16ClF2NO4
Molecular Weight383.78 g/mol
Exact Mass383.07
IUPAC Name(E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
SMILESCOc1cc(OC)c(NC(=O)/C=C/c2ccccc2OC(F)F)cc1Cl
InChIInChI=1S/C18H16ClF2NO4/c1-24-15-10-16(25-2)13(9-12(15)19)22-17(23)8-7-11-5-3-4-6-14(11)26-18(20)21/h3-10,18H,1-2H3,(H,22,23)/b8-7+
InChIKeyGEDVXLCCEPONFP-BQYQJAHWSA-N
XLogP4.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.78
LogP ≤ 54.61
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-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 5226614
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734246
(E)-N-(2-chloro-4-methylphenyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 7668459
(E)-N-(2,4-dibromophenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 16591585
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 1181184
4-chloro-3-[[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 60532282
4-(5-chloro-2,4-dimethoxyanilino)-4-oxobut-2-enoic acid
CID 2803499
(E)-N-(2-chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 9411298
(E)-N-(3-chloro-4-fluorophenyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 9192215
(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 966348
(E)-N-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 17341208
(E)-4-(5-chloro-2,4-dimethoxyanilino)-4-oxobut-2-enoate
CID 6928919

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide (CID 16594479) is (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide is COc1cc(OC)c(NC(=O)/C=C/c2ccccc2OC(F)F)cc1Cl.
What is the InChIKey of (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is GEDVXLCCEPONFP-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H16ClF2NO4/c1-24-15-10-16(25-2)13(9-12(15)19)22-17(23)8-7-11-5-3-4-6-14(11)26-18(20)21/h3-10,18H,1-2H3,(H,22,23)/b8-7+.
What are the key properties of (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide?
(E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 383.78 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 16594479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).