N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide

C20H21F2NO3 — CID 24532069

IUPACN-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NC(C)c2ccc(F)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C20H21F2NO3/c1-5-6-14-9-15(11-18(25-3)19(14)26-4)20(24)23-12(2)13-7-8-16(21)17(22)10-13/h5,7-12H,1,6H2,2-4H3,(H,23,24)
InChIKeyZCYFXPFIUCRHCW-UHFFFAOYSA-N
MW361.39 g/mol
LogP4.20
Rot. Bonds7

About N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide

N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide (PubChem CID 24532069) has the molecular formula C20H21F2NO3 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
PubChem CID24532069
Molecular FormulaC20H21F2NO3
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NC(C)c2ccc(F)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C20H21F2NO3/c1-5-6-14-9-15(11-18(25-3)19(14)26-4)20(24)23-12(2)13-7-8-16(21)17(22)10-13/h5,7-12H,1,6H2,2-4H3,(H,23,24)
InChIKeyZCYFXPFIUCRHCW-UHFFFAOYSA-N
XLogP4.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide (CID 24532069) is N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)NC(C)c2ccc(F)c(F)c2)cc(OC)c1OC.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The InChIKey is ZCYFXPFIUCRHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO3/c1-5-6-14-9-15(11-18(25-3)19(14)26-4)20(24)23-12(2)13-7-8-16(21)17(22)10-13/h5,7-12H,1,6H2,2-4H3,(H,23,24).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide has a molecular weight of 361.39 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide is sourced from PubChem (CID 24532069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).