N-[(2R,4R,4aS,8aR)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide

C18H22F3NO2 — CID 110134027

IUPACN-[(2R,4R,4aS,8aR)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)O[C@@H]2CCCC[C@@H]12
InChIInChI=1S/C18H22F3NO2/c1-11(23)22-15-10-17(24-16-8-3-2-7-14(15)16)12-5-4-6-13(9-12)18(19,20)21/h4-6,9,14-17H,2-3,7-8,10H2,1H3,(H,22,23)/t14-,15+,16+,17+/m0/s1
InChIKeyMCSKLJUKWVEYGJ-YLFCFFPRSA-N
MW341.37 g/mol
LogP4.23
Rot. Bonds2

About N-[(2R,4R,4aS,8aR)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide

N-[(2R,4R,4aS,8aR)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide (PubChem CID 110134027) has the molecular formula C18H22F3NO2 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[(2R,4R,4aS,8aR)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R,4aS,8aR)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide
PubChem CID110134027
Molecular FormulaC18H22F3NO2
Molecular Weight341.37 g/mol
Exact Mass341.16
IUPAC NameN-[(2R,4R,4aS,8aR)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)O[C@@H]2CCCC[C@@H]12
InChIInChI=1S/C18H22F3NO2/c1-11(23)22-15-10-17(24-16-8-3-2-7-14(15)16)12-5-4-6-13(9-12)18(19,20)21/h4-6,9,14-17H,2-3,7-8,10H2,1H3,(H,22,23)/t14-,15+,16+,17+/m0/s1
InChIKeyMCSKLJUKWVEYGJ-YLFCFFPRSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2R,4R,4aS,8aR)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]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-[(2R,4R,4aS,7aR)-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]acetamide
CID 110152946
N-[(2R,4R,4aS,8aR)-2-[4-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]-3-methoxypropanamide
CID 110152954
N-[(2R,4R,4aS,8aR)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide
CID 110134049
N-[(2R,4R,4aS,7R,8aR)-4,7-dimethyl-2-[3-(trifluoromethyl)phenyl]-2,3,4a,5,6,7,8,8a-octahydrochromen-4-yl]acetamide
CID 110142456
1-chloro-3-[3-(trifluoromethyl)phenyl]cycloheptane
CID 64506404
1-[3-(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]urea
CID 25360659
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
2-methyl-2-methylsulfonyl-N-[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 97213190
(E)-N-(2-methylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6219909
(5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 97000628
2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16577679
[(2S)-6-[3-(trifluoromethyl)phenyl]oxan-2-yl]methanamine
CID 134408200

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R,4aS,8aR)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide?
The IUPAC name of N-[(2R,4R,4aS,8aR)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide (CID 110134027) is N-[(2R,4R,4aS,8aR)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4R,4aS,8aR)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for N-[(2R,4R,4aS,8aR)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide is CC(=O)N[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)O[C@@H]2CCCC[C@@H]12.
What is the InChIKey of N-[(2R,4R,4aS,8aR)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide?
The InChIKey is MCSKLJUKWVEYGJ-YLFCFFPRSA-N. The full InChI is InChI=1S/C18H22F3NO2/c1-11(23)22-15-10-17(24-16-8-3-2-7-14(15)16)12-5-4-6-13(9-12)18(19,20)21/h4-6,9,14-17H,2-3,7-8,10H2,1H3,(H,22,23)/t14-,15+,16+,17+/m0/s1.
What are the key properties of N-[(2R,4R,4aS,8aR)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide?
N-[(2R,4R,4aS,8aR)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide has a molecular weight of 341.37 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R,4aS,8aR)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 110134027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).