(E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C18H17F2NO4 — CID 60596805

IUPAC(E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cccc(F)c2F)cc(OC)c1OC
InChIInChI=1S/C18H17F2NO4/c1-23-14-9-11(10-15(24-2)18(14)25-3)7-8-16(22)21-13-6-4-5-12(19)17(13)20/h4-10H,1-3H3,(H,21,22)/b8-7+
InChIKeyLOMNQANTHGHVKV-BQYQJAHWSA-N
MW349.33 g/mol
LogP3.64
Rot. Bonds6

About (E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 60596805) has the molecular formula C18H17F2NO4 and a molecular weight of 349.33 g/mol. Its IUPAC name is (E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID60596805
Molecular FormulaC18H17F2NO4
Molecular Weight349.33 g/mol
Exact Mass349.11
IUPAC Name(E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cccc(F)c2F)cc(OC)c1OC
InChIInChI=1S/C18H17F2NO4/c1-23-14-9-11(10-15(24-2)18(14)25-3)7-8-16(22)21-13-6-4-5-12(19)17(13)20/h4-10H,1-3H3,(H,21,22)/b8-7+
InChIKeyLOMNQANTHGHVKV-BQYQJAHWSA-N
XLogP3.64
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 53.64
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-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75618952
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(3-chloro-2-fluorophenyl)prop-2-enamide
CID 9146394
N-(2,3-difluorophenyl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
CID 76871539
(E)-3-(3,4,5-trimethoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359894
(E)-N-(2-acetylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8749614
(E)-N-(5-acetamido-2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 39976511
(E)-N-(2-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7929957
(E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 155816075
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(4-chloro-2-fluorophenyl)prop-2-enamide
CID 9097467
N-(2,3-difluorophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60596443
N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1320377
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 60596805) is (E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2cccc(F)c2F)cc(OC)c1OC.
What is the InChIKey of (E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is LOMNQANTHGHVKV-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H17F2NO4/c1-23-14-9-11(10-15(24-2)18(14)25-3)7-8-16(22)21-13-6-4-5-12(19)17(13)20/h4-10H,1-3H3,(H,21,22)/b8-7+.
What are the key properties of (E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 349.33 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 60596805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).