6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide

C23H22FNO5 — CID 43843506

IUPAC6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
SMILESCOc1ccc(CN(CC2CCCO2)C(=O)c2cc(=O)c3cc(F)ccc3o2)cc1
InChIInChI=1S/C23H22FNO5/c1-28-17-7-4-15(5-8-17)13-25(14-18-3-2-10-29-18)23(27)22-12-20(26)19-11-16(24)6-9-21(19)30-22/h4-9,11-12,18H,2-3,10,13-14H2,1H3
InChIKeyBLKMWPSPTYKWHF-UHFFFAOYSA-N
MW411.43 g/mol
LogP3.76
Rot. Bonds6

About 6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide

6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide (PubChem CID 43843506) has the molecular formula C23H22FNO5 and a molecular weight of 411.43 g/mol. Its IUPAC name is 6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
PubChem CID43843506
Molecular FormulaC23H22FNO5
Molecular Weight411.43 g/mol
Exact Mass411.15
IUPAC Name6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
SMILESCOc1ccc(CN(CC2CCCO2)C(=O)c2cc(=O)c3cc(F)ccc3o2)cc1
InChIInChI=1S/C23H22FNO5/c1-28-17-7-4-15(5-8-17)13-25(14-18-3-2-10-29-18)23(27)22-12-20(26)19-11-16(24)6-9-21(19)30-22/h4-9,11-12,18H,2-3,10,13-14H2,1H3
InChIKeyBLKMWPSPTYKWHF-UHFFFAOYSA-N
XLogP3.76
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
CID 43843151
N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541235
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-methoxyphenyl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 99940692
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
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide?
The IUPAC name of 6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide (CID 43843506) is 6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide is COc1ccc(CN(CC2CCCO2)C(=O)c2cc(=O)c3cc(F)ccc3o2)cc1.
What is the InChIKey of 6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide?
The InChIKey is BLKMWPSPTYKWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO5/c1-28-17-7-4-15(5-8-17)13-25(14-18-3-2-10-29-18)23(27)22-12-20(26)19-11-16(24)6-9-21(19)30-22/h4-9,11-12,18H,2-3,10,13-14H2,1H3.
What are the key properties of 6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide?
6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide has a molecular weight of 411.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide is sourced from PubChem (CID 43843506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).