N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide

C18H17F2NO3 — CID 7707159

IUPACN-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H17F2NO3/c1-2-5-13-6-3-4-7-16(13)23-12-17(22)21-14-8-10-15(11-9-14)24-18(19)20/h2-4,6-11,18H,1,5,12H2,(H,21,22)
InChIKeyVLQQOWVDGBRIIB-UHFFFAOYSA-N
MW333.33 g/mol
LogP4.03
Rot. Bonds8

About N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide

N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide (PubChem CID 7707159) has the molecular formula C18H17F2NO3 and a molecular weight of 333.33 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide
PubChem CID7707159
Molecular FormulaC18H17F2NO3
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H17F2NO3/c1-2-5-13-6-3-4-7-16(13)23-12-17(22)21-14-8-10-15(11-9-14)24-18(19)20/h2-4,6-11,18H,1,5,12H2,(H,21,22)
InChIKeyVLQQOWVDGBRIIB-UHFFFAOYSA-N
XLogP4.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407019
N-[4-(difluoromethoxy)phenyl]-2-(2-hydroxyphenoxy)acetamide
CID 78770173
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide
CID 4243921
N-(3-methoxyphenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407018
N-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407053
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide
CID 7707153
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913003
N-benzyl-2-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide
CID 34092044
hexyl 4-[[2-(2-prop-2-enylphenoxy)acetyl]amino]benzoate
CID 19237223
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701125
N-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 19237258
N-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 19237257

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide (CID 7707159) is N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide is C=CCc1ccccc1OCC(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide?
The InChIKey is VLQQOWVDGBRIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3/c1-2-5-13-6-3-4-7-16(13)23-12-17(22)21-14-8-10-15(11-9-14)24-18(19)20/h2-4,6-11,18H,1,5,12H2,(H,21,22).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide?
N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide has a molecular weight of 333.33 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 7707159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).