3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide

C21H23F2NO4 — CID 55797709

IUPAC3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide
SMILESCOCCOc1ccc(C(C)NC(=O)C=Cc2c(F)cccc2F)cc1OC
InChIInChI=1S/C21H23F2NO4/c1-14(15-7-9-19(20(13-15)27-3)28-12-11-26-2)24-21(25)10-8-16-17(22)5-4-6-18(16)23/h4-10,13-14H,11-12H2,1-3H3,(H,24,25)
InChIKeyJDQFHSCCUIZAEB-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.89
Rot. Bonds9

About 3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide

3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide (PubChem CID 55797709) has the molecular formula C21H23F2NO4 and a molecular weight of 391.41 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide
PubChem CID55797709
Molecular FormulaC21H23F2NO4
Molecular Weight391.41 g/mol
Exact Mass391.16
IUPAC Name3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide
SMILESCOCCOc1ccc(C(C)NC(=O)C=Cc2c(F)cccc2F)cc1OC
InChIInChI=1S/C21H23F2NO4/c1-14(15-7-9-19(20(13-15)27-3)28-12-11-26-2)24-21(25)10-8-16-17(22)5-4-6-18(16)23/h4-10,13-14H,11-12H2,1-3H3,(H,24,25)
InChIKeyJDQFHSCCUIZAEB-UHFFFAOYSA-N
XLogP3.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 51954351
(E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 28560821
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 55748515
3-(1,3-benzodioxol-5-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide
CID 55748373
(E)-3-[2-(difluoromethoxy)phenyl]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]prop-2-enamide
CID 55747210
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
CID 42563500
(E)-3-(3,4-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 92674332
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92672766
3-amino-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]butanamide
CID 119722964
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439
1-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 55809027
(E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 17329451

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide?
The IUPAC name of 3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide (CID 55797709) is 3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide.
What is the SMILES notation for 3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide?
The canonical SMILES for 3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide is COCCOc1ccc(C(C)NC(=O)C=Cc2c(F)cccc2F)cc1OC.
What is the InChIKey of 3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide?
The InChIKey is JDQFHSCCUIZAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO4/c1-14(15-7-9-19(20(13-15)27-3)28-12-11-26-2)24-21(25)10-8-16-17(22)5-4-6-18(16)23/h4-10,13-14H,11-12H2,1-3H3,(H,24,25).
What are the key properties of 3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide?
3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide has a molecular weight of 391.41 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide is sourced from PubChem (CID 55797709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).