N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide

C24H24FNO4 — CID 35541235

IUPACN-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
SMILESCCc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(=O)c3cc(F)ccc3o2)cc1
InChIInChI=1S/C24H24FNO4/c1-2-16-5-7-17(8-6-16)14-26(15-19-4-3-11-29-19)24(28)23-13-21(27)20-12-18(25)9-10-22(20)30-23/h5-10,12-13,19H,2-4,11,14-15H2,1H3/t19-/m1/s1
InChIKeyZGPWSAPAPFGDHR-LJQANCHMSA-N
MW409.46 g/mol
LogP4.32
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide

N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide (PubChem CID 35541235) has the molecular formula C24H24FNO4 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
PubChem CID35541235
Molecular FormulaC24H24FNO4
Molecular Weight409.46 g/mol
Exact Mass409.17
IUPAC NameN-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
SMILESCCc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(=O)c3cc(F)ccc3o2)cc1
InChIInChI=1S/C24H24FNO4/c1-2-16-5-7-17(8-6-16)14-26(15-19-4-3-11-29-19)24(28)23-13-21(27)20-12-18(25)9-10-22(20)30-23/h5-10,12-13,19H,2-4,11,14-15H2,1H3/t19-/m1/s1
InChIKeyZGPWSAPAPFGDHR-LJQANCHMSA-N
XLogP4.32
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
CID 43843151
6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
CID 43843506
6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541197
6-fluoro-N-(furan-2-ylmethyl)-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541191
N-[(4-chlorophenyl)methyl]-6,7-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 40871229
6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35344277
N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19120160
6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541273
N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 6557652
4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 35541317
6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one
CID 159966896
6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35338090

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide (CID 35541235) is N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide is CCc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(=O)c3cc(F)ccc3o2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide?
The InChIKey is ZGPWSAPAPFGDHR-LJQANCHMSA-N. The full InChI is InChI=1S/C24H24FNO4/c1-2-16-5-7-17(8-6-16)14-26(15-19-4-3-11-29-19)24(28)23-13-21(27)20-12-18(25)9-10-22(20)30-23/h5-10,12-13,19H,2-4,11,14-15H2,1H3/t19-/m1/s1.
What are the key properties of N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide?
N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide is sourced from PubChem (CID 35541235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).