N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-morpholin-4-ylacetamide

C17H23FN2O3 — CID 136550892

IUPACN-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-morpholin-4-ylacetamide
SMILESCC1(C)CC(NC(=O)CN2CCOCC2)c2cc(F)ccc2O1
InChIInChI=1S/C17H23FN2O3/c1-17(2)10-14(13-9-12(18)3-4-15(13)23-17)19-16(21)11-20-5-7-22-8-6-20/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,19,21)
InChIKeyKPWDAPHKNXFXII-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.88
Rot. Bonds3

About N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-morpholin-4-ylacetamide

N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-morpholin-4-ylacetamide (PubChem CID 136550892) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-morpholin-4-ylacetamide
PubChem CID136550892
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC NameN-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-morpholin-4-ylacetamide
SMILESCC1(C)CC(NC(=O)CN2CCOCC2)c2cc(F)ccc2O1
InChIInChI=1S/C17H23FN2O3/c1-17(2)10-14(13-9-12(18)3-4-15(13)23-17)19-16(21)11-20-5-7-22-8-6-20/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,19,21)
InChIKeyKPWDAPHKNXFXII-UHFFFAOYSA-N
XLogP1.88
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methylpyrazol-1-yl)acetamide
CID 136549794
2-(4-fluorophenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133166469
1-(2-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
CID 11609951
6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81481079
cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 171442055
2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132667340
(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132651818
(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate
CID 174747498
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide
CID 132651349
2-(4-chloro-2-fluorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133158321
2-(2-methylphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132651952

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-morpholin-4-ylacetamide (CID 136550892) is N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-morpholin-4-ylacetamide is CC1(C)CC(NC(=O)CN2CCOCC2)c2cc(F)ccc2O1.
What is the InChIKey of N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-morpholin-4-ylacetamide?
The InChIKey is KPWDAPHKNXFXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-17(2)10-14(13-9-12(18)3-4-15(13)23-17)19-16(21)11-20-5-7-22-8-6-20/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-morpholin-4-ylacetamide?
N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-morpholin-4-ylacetamide has a molecular weight of 322.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 136550892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).