2-fluoro-2-(4-prop-1-en-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide

C20H20F4N2O2 — CID 70312815

IUPAC2-fluoro-2-(4-prop-1-en-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
SMILESC=C(C)c1ccc(C(F)C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1
InChIInChI=1S/C20H20F4N2O2/c1-12(2)14-4-6-15(7-5-14)18(21)19(27)26-13(3)17-9-8-16(10-25-17)28-11-20(22,23)24/h4-10,13,18H,1,11H2,2-3H3,(H,26,27)/t13-,18?/m1/s1
InChIKeySLPCHMFFNRKZDA-YJJYDOSJSA-N
MW396.38 g/mol
LogP4.94
Rot. Bonds7

About 2-fluoro-2-(4-prop-1-en-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide

2-fluoro-2-(4-prop-1-en-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide (PubChem CID 70312815) has the molecular formula C20H20F4N2O2 and a molecular weight of 396.38 g/mol. Its IUPAC name is 2-fluoro-2-(4-prop-1-en-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound Name2-fluoro-2-(4-prop-1-en-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
PubChem CID70312815
Molecular FormulaC20H20F4N2O2
Molecular Weight396.38 g/mol
Exact Mass396.15
IUPAC Name2-fluoro-2-(4-prop-1-en-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
SMILESC=C(C)c1ccc(C(F)C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1
InChIInChI=1S/C20H20F4N2O2/c1-12(2)14-4-6-15(7-5-14)18(21)19(27)26-13(3)17-9-8-16(10-25-17)28-11-20(22,23)24/h4-10,13,18H,1,11H2,2-3H3,(H,26,27)/t13-,18?/m1/s1
InChIKeySLPCHMFFNRKZDA-YJJYDOSJSA-N
XLogP4.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-2-(4-prop-1-en-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]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-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 87340431
(4S)-1,1-difluoro-1-(4-prop-1-en-2-ylphenyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one
CID 58255235
2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793
4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 67290329
2-(3,5-dimethylphenoxy)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 67290853
N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 87342332
(2R,3R)-2-methyl-3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide
CID 118507128
[(1S)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]-1-[4-(trifluoromethyl)phenyl]propyl]carbamic acid
CID 118286635
2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 87342561
3-(4-chlorophenoxy)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propanamide
CID 67290991
2-(4-phenoxyphenoxy)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 67290582
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 87341437

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-prop-1-en-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
The IUPAC name of 2-fluoro-2-(4-prop-1-en-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide (CID 70312815) is 2-fluoro-2-(4-prop-1-en-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide.
What is the SMILES notation for 2-fluoro-2-(4-prop-1-en-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
The canonical SMILES for 2-fluoro-2-(4-prop-1-en-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide is C=C(C)c1ccc(C(F)C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1.
What is the InChIKey of 2-fluoro-2-(4-prop-1-en-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
The InChIKey is SLPCHMFFNRKZDA-YJJYDOSJSA-N. The full InChI is InChI=1S/C20H20F4N2O2/c1-12(2)14-4-6-15(7-5-14)18(21)19(27)26-13(3)17-9-8-16(10-25-17)28-11-20(22,23)24/h4-10,13,18H,1,11H2,2-3H3,(H,26,27)/t13-,18?/m1/s1.
What are the key properties of 2-fluoro-2-(4-prop-1-en-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
2-fluoro-2-(4-prop-1-en-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide has a molecular weight of 396.38 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-prop-1-en-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 70312815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).