2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide

C21H19FN2O4 — CID 135631749

IUPAC2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1cccc(F)c1
InChIInChI=1S/C21H19FN2O4/c22-14-3-1-4-15(10-14)24-21-18(20(26)23-12-17-5-2-8-27-17)9-13-6-7-16(25)11-19(13)28-21/h1,3-4,6-7,9-11,17,25H,2,5,8,12H2,(H,23,26)/b24-21-
InChIKeyVLNXQXJFUIZFMJ-FLFQWRMESA-N
MW382.39 g/mol
LogP3.42
Rot. Bonds4

About 2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide

2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (PubChem CID 135631749) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
PubChem CID135631749
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1cccc(F)c1
InChIInChI=1S/C21H19FN2O4/c22-14-3-1-4-15(10-14)24-21-18(20(26)23-12-17-5-2-8-27-17)9-13-6-7-16(25)11-19(13)28-21/h1,3-4,6-7,9-11,17,25H,2,5,8,12H2,(H,23,26)/b24-21-
InChIKeyVLNXQXJFUIZFMJ-FLFQWRMESA-N
XLogP3.42
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777806
7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide
CID 135631732
7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777779
7-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 136777825
7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135631778
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777862
2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95185039
7-hydroxy-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 5413280
2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1134964
2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135496484
6-bromo-2-(3-methylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366891
6-chloro-2-(4-fluoro-3-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184972

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (CID 135631749) is 2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is O=C(NCC1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is VLNXQXJFUIZFMJ-FLFQWRMESA-N. The full InChI is InChI=1S/C21H19FN2O4/c22-14-3-1-4-15(10-14)24-21-18(20(26)23-12-17-5-2-8-27-17)9-13-6-7-16(25)11-19(13)28-21/h1,3-4,6-7,9-11,17,25H,2,5,8,12H2,(H,23,26)/b24-21-.
What are the key properties of 2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 135631749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).