N-(7-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-fluorobenzamide

C20H20FNO4 — CID 19086106

IUPACN-(7-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-fluorobenzamide
SMILESCC(=O)c1ccc2c(c1)OC(C)(C)C(O)C2NC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H20FNO4/c1-11(23)13-6-9-15-16(10-13)26-20(2,3)18(24)17(15)22-19(25)12-4-7-14(21)8-5-12/h4-10,17-18,24H,1-3H3,(H,22,25)
InChIKeyGQFPOKZKVWOPGW-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.03
Rot. Bonds3

About N-(7-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-fluorobenzamide

N-(7-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-fluorobenzamide (PubChem CID 19086106) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is N-(7-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(7-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-fluorobenzamide
PubChem CID19086106
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC NameN-(7-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-fluorobenzamide
SMILESCC(=O)c1ccc2c(c1)OC(C)(C)C(O)C2NC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H20FNO4/c1-11(23)13-6-9-15-16(10-13)26-20(2,3)18(24)17(15)22-19(25)12-4-7-14(21)8-5-12/h4-10,17-18,24H,1-3H3,(H,22,25)
InChIKeyGQFPOKZKVWOPGW-UHFFFAOYSA-N
XLogP3.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-fluorobenzamide?
The IUPAC name of N-(7-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-fluorobenzamide (CID 19086106) is N-(7-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(7-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-fluorobenzamide?
The canonical SMILES for N-(7-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-fluorobenzamide is CC(=O)c1ccc2c(c1)OC(C)(C)C(O)C2NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(7-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-fluorobenzamide?
The InChIKey is GQFPOKZKVWOPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-11(23)13-6-9-15-16(10-13)26-20(2,3)18(24)17(15)22-19(25)12-4-7-14(21)8-5-12/h4-10,17-18,24H,1-3H3,(H,22,25).
What are the key properties of N-(7-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-fluorobenzamide?
N-(7-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-fluorobenzamide has a molecular weight of 357.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-fluorobenzamide is sourced from PubChem (CID 19086106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).