N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide

C19H20FNO3 — CID 132651349

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide
SMILESCC1(C)CC(NC(=O)COc2ccccc2F)c2ccccc2O1
InChIInChI=1S/C19H20FNO3/c1-19(2)11-15(13-7-3-5-9-16(13)24-19)21-18(22)12-23-17-10-6-4-8-14(17)20/h3-10,15H,11-12H2,1-2H3,(H,21,22)
InChIKeyTZHWGTDQYDHRLQ-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.62
Rot. Bonds4

About N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide (PubChem CID 132651349) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide
PubChem CID132651349
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide
SMILESCC1(C)CC(NC(=O)COc2ccccc2F)c2ccccc2O1
InChIInChI=1S/C19H20FNO3/c1-19(2)11-15(13-7-3-5-9-16(13)24-19)21-18(22)12-23-17-10-6-4-8-14(17)20/h3-10,15H,11-12H2,1-2H3,(H,21,22)
InChIKeyTZHWGTDQYDHRLQ-UHFFFAOYSA-N
XLogP3.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132652411
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100670206
2-(4-bromophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132659156
N-(2,3-dihydro-1-benzofuran-3-yl)-2-(2-fluorophenoxy)acetamide
CID 110751651
2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132655030
2-(2-methylphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132651952
2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 99993350
2-(2-bromo-4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132673742
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758263
2-(2-methoxyphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132653577
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-methylphenoxy)acetamide
CID 99993371
2-(4-chloro-2-fluorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133158321

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide (CID 132651349) is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide is CC1(C)CC(NC(=O)COc2ccccc2F)c2ccccc2O1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide?
The InChIKey is TZHWGTDQYDHRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-19(2)11-15(13-7-3-5-9-16(13)24-19)21-18(22)12-23-17-10-6-4-8-14(17)20/h3-10,15H,11-12H2,1-2H3,(H,21,22).
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide?
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide has a molecular weight of 329.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 132651349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).