(2R)-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-2,3-dihydrochromene-2-carboxamide

C18H16FNO3 — CID 35339058

IUPAC(2R)-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-2,3-dihydrochromene-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CC(=O)c2cc(F)ccc2O1)c1ccccc1
InChIInChI=1S/C18H16FNO3/c1-11(12-5-3-2-4-6-12)20-18(22)17-10-15(21)14-9-13(19)7-8-16(14)23-17/h2-9,11,17H,10H2,1H3,(H,20,22)/t11-,17+/m0/s1
InChIKeyUSMVCGZWEZGAGN-APPDUMDISA-N
MW313.33 g/mol
LogP3.04
Rot. Bonds3

About (2R)-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-2,3-dihydrochromene-2-carboxamide

(2R)-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-2,3-dihydrochromene-2-carboxamide (PubChem CID 35339058) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is (2R)-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-2,3-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-2,3-dihydrochromene-2-carboxamide
PubChem CID35339058
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name(2R)-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-2,3-dihydrochromene-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CC(=O)c2cc(F)ccc2O1)c1ccccc1
InChIInChI=1S/C18H16FNO3/c1-11(12-5-3-2-4-6-12)20-18(22)17-10-15(21)14-9-13(19)7-8-16(14)23-17/h2-9,11,17H,10H2,1H3,(H,20,22)/t11-,17+/m0/s1
InChIKeyUSMVCGZWEZGAGN-APPDUMDISA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid
CID 10130516
6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one
CID 114672243
6-fluoro-N-[(2-fluorophenyl)methyl]-N-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 167842970
(2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37462398
6-fluoro-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 167882652
N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42892740
(2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one
CID 7016138
(2R)-7-methyl-5-methylsulfonyl-N-[(1S)-1-phenylethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 95081280
(2R)-6-[(2S)-2-iodopropyl]-N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 69118566
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 93487302
2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one
CID 114270731
(2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945486

Frequently Asked Questions

What is the IUPAC name of (2R)-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-2,3-dihydrochromene-2-carboxamide?
The IUPAC name of (2R)-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-2,3-dihydrochromene-2-carboxamide (CID 35339058) is (2R)-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-2,3-dihydrochromene-2-carboxamide.
What is the SMILES notation for (2R)-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-2,3-dihydrochromene-2-carboxamide?
The canonical SMILES for (2R)-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-2,3-dihydrochromene-2-carboxamide is C[C@H](NC(=O)[C@H]1CC(=O)c2cc(F)ccc2O1)c1ccccc1.
What is the InChIKey of (2R)-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-2,3-dihydrochromene-2-carboxamide?
The InChIKey is USMVCGZWEZGAGN-APPDUMDISA-N. The full InChI is InChI=1S/C18H16FNO3/c1-11(12-5-3-2-4-6-12)20-18(22)17-10-15(21)14-9-13(19)7-8-16(14)23-17/h2-9,11,17H,10H2,1H3,(H,20,22)/t11-,17+/m0/s1.
What are the key properties of (2R)-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-2,3-dihydrochromene-2-carboxamide?
(2R)-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-2,3-dihydrochromene-2-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-2,3-dihydrochromene-2-carboxamide is sourced from PubChem (CID 35339058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).