N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C20H20F3NO3 — CID 100758263

IUPACN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCC1(C)C[C@@H](NC(=O)COc2cccc(C(F)(F)F)c2)c2ccccc2O1
InChIInChI=1S/C20H20F3NO3/c1-19(2)11-16(15-8-3-4-9-17(15)27-19)24-18(25)12-26-14-7-5-6-13(10-14)20(21,22)23/h3-10,16H,11-12H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyQSMHPGAXPOIIQR-MRXNPFEDSA-N
MW379.38 g/mol
LogP4.50
Rot. Bonds4

About N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 100758263) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID100758263
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC NameN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCC1(C)C[C@@H](NC(=O)COc2cccc(C(F)(F)F)c2)c2ccccc2O1
InChIInChI=1S/C20H20F3NO3/c1-19(2)11-16(15-8-3-4-9-17(15)27-19)24-18(25)12-26-14-7-5-6-13(10-14)20(21,22)23/h3-10,16H,11-12H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyQSMHPGAXPOIIQR-MRXNPFEDSA-N
XLogP4.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]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

2-[3-(trifluoromethyl)phenoxy]-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100758401
2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132655030
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide
CID 132651349
2-(2-bromo-4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132673742
2-(3,4-dimethylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132653312
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 35292688
2-(4-bromophenoxy)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132666161
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100670206
2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132652411
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-methylphenoxy)acetamide
CID 99993371
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide
CID 133186763
2-(2-methoxyphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132653577

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 100758263) is N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide is CC1(C)C[C@@H](NC(=O)COc2cccc(C(F)(F)F)c2)c2ccccc2O1.
What is the InChIKey of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is QSMHPGAXPOIIQR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-19(2)11-16(15-8-3-4-9-17(15)27-19)24-18(25)12-26-14-7-5-6-13(10-14)20(21,22)23/h3-10,16H,11-12H2,1-2H3,(H,24,25)/t16-/m1/s1.
What are the key properties of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 379.38 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 100758263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).