4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide

C20H21FN2O4 — CID 119165291

IUPAC4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(OCC(N)=O)cc2)c2ccc(F)cc2O1
InChIInChI=1S/C20H21FN2O4/c1-20(2)10-16(15-8-5-13(21)9-17(15)27-20)23-19(25)12-3-6-14(7-4-12)26-11-18(22)24/h3-9,16H,10-11H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyOMIPOMWEVYMETJ-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.72
Rot. Bonds5

About 4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide

4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide (PubChem CID 119165291) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
PubChem CID119165291
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(OCC(N)=O)cc2)c2ccc(F)cc2O1
InChIInChI=1S/C20H21FN2O4/c1-20(2)10-16(15-8-5-13(21)9-17(15)27-20)23-19(25)12-3-6-14(7-4-12)26-11-18(22)24/h3-9,16H,10-11H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyOMIPOMWEVYMETJ-UHFFFAOYSA-N
XLogP2.72
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide (CID 119165291) is 4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(OCC(N)=O)cc2)c2ccc(F)cc2O1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide?
The InChIKey is OMIPOMWEVYMETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-20(2)10-16(15-8-5-13(21)9-17(15)27-20)23-19(25)12-3-6-14(7-4-12)26-11-18(22)24/h3-9,16H,10-11H2,1-2H3,(H2,22,24)(H,23,25).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide?
4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide has a molecular weight of 372.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide is sourced from PubChem (CID 119165291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).