2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide

C20H22FNO3 — CID 132652411

IUPAC2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCc1ccc2c(c1)OC(C)(C)CC2NC(=O)COc1ccccc1F
InChIInChI=1S/C20H22FNO3/c1-13-8-9-14-16(11-20(2,3)25-18(14)10-13)22-19(23)12-24-17-7-5-4-6-15(17)21/h4-10,16H,11-12H2,1-3H3,(H,22,23)
InChIKeyFUCICUOGTAIGBC-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.93
Rot. Bonds4

About 2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide

2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide (PubChem CID 132652411) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
PubChem CID132652411
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCc1ccc2c(c1)OC(C)(C)CC2NC(=O)COc1ccccc1F
InChIInChI=1S/C20H22FNO3/c1-13-8-9-14-16(11-20(2,3)25-18(14)10-13)22-19(23)12-24-17-7-5-4-6-15(17)21/h4-10,16H,11-12H2,1-3H3,(H,22,23)
InChIKeyFUCICUOGTAIGBC-UHFFFAOYSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132653577
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide
CID 132651349
2-(2-fluorophenyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637040
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133251790
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-(3,4-dimethylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132653312
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-methylphenoxy)acetamide
CID 99993371
2-(2-fluorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100636989
2-(4-chlorophenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132652521
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100603757
2-[3-(trifluoromethyl)phenoxy]-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100758401

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide (CID 132652411) is 2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide is Cc1ccc2c(c1)OC(C)(C)CC2NC(=O)COc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
The InChIKey is FUCICUOGTAIGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-13-8-9-14-16(11-20(2,3)25-18(14)10-13)22-19(23)12-24-17-7-5-4-6-15(17)21/h4-10,16H,11-12H2,1-3H3,(H,22,23).
What are the key properties of 2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide has a molecular weight of 343.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide is sourced from PubChem (CID 132652411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).