3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide

C20H22FNO4 — CID 100614396

IUPAC3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
SMILESCOc1ccc2c(c1)[C@H](NC(=O)c1ccc(OC)c(F)c1)CC(C)(C)O2
InChIInChI=1S/C20H22FNO4/c1-20(2)11-16(14-10-13(24-3)6-8-17(14)26-20)22-19(23)12-5-7-18(25-4)15(21)9-12/h5-10,16H,11H2,1-4H3,(H,22,23)/t16-/m1/s1
InChIKeyPICSHNMNBJMWEG-MRXNPFEDSA-N
MW359.40 g/mol
LogP3.88
Rot. Bonds4

About 3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide

3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide (PubChem CID 100614396) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
PubChem CID100614396
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
SMILESCOc1ccc2c(c1)[C@H](NC(=O)c1ccc(OC)c(F)c1)CC(C)(C)O2
InChIInChI=1S/C20H22FNO4/c1-20(2)11-16(14-10-13(24-3)6-8-17(14)26-20)22-19(23)12-5-7-18(25-4)15(21)9-12/h5-10,16H,11H2,1-4H3,(H,22,23)/t16-/m1/s1
InChIKeyPICSHNMNBJMWEG-MRXNPFEDSA-N
XLogP3.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133209935
4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide
CID 133202467
3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100537401
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methylsulfamoyl)benzamide
CID 100622453
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide
CID 100670635
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methylsulfanylbenzamide
CID 132653943
3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 47047556
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide
CID 157017063
(E)-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 99998718
(E)-3-(3,4-dimethoxyphenyl)-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide
CID 99996975

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide (CID 100614396) is 3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide is COc1ccc2c(c1)[C@H](NC(=O)c1ccc(OC)c(F)c1)CC(C)(C)O2.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide?
The InChIKey is PICSHNMNBJMWEG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-20(2)11-16(14-10-13(24-3)6-8-17(14)26-20)22-19(23)12-5-7-18(25-4)15(21)9-12/h5-10,16H,11H2,1-4H3,(H,22,23)/t16-/m1/s1.
What are the key properties of 3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide?
3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide has a molecular weight of 359.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide is sourced from PubChem (CID 100614396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).