2-(4-fluoro-2-methylphenyl)imino-N-(furan-2-ylmethyl)-8-methoxychromene-3-carboxamide

C23H19FN2O4 — CID 51368279

IUPAC2-(4-fluoro-2-methylphenyl)imino-N-(furan-2-ylmethyl)-8-methoxychromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(F)cc3C)oc12
InChIInChI=1S/C23H19FN2O4/c1-14-11-16(24)8-9-19(14)26-23-18(22(27)25-13-17-6-4-10-29-17)12-15-5-3-7-20(28-2)21(15)30-23/h3-12H,13H2,1-2H3,(H,25,27)/b26-23-
InChIKeyFCNHZAMUYVTIPY-RWEWTDSWSA-N
MW406.41 g/mol
LogP4.64
Rot. Bonds5

About 2-(4-fluoro-2-methylphenyl)imino-N-(furan-2-ylmethyl)-8-methoxychromene-3-carboxamide

2-(4-fluoro-2-methylphenyl)imino-N-(furan-2-ylmethyl)-8-methoxychromene-3-carboxamide (PubChem CID 51368279) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)imino-N-(furan-2-ylmethyl)-8-methoxychromene-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)imino-N-(furan-2-ylmethyl)-8-methoxychromene-3-carboxamide
PubChem CID51368279
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name2-(4-fluoro-2-methylphenyl)imino-N-(furan-2-ylmethyl)-8-methoxychromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(F)cc3C)oc12
InChIInChI=1S/C23H19FN2O4/c1-14-11-16(24)8-9-19(14)26-23-18(22(27)25-13-17-6-4-10-29-17)12-15-5-3-7-20(28-2)21(15)30-23/h3-12H,13H2,1-2H3,(H,25,27)/b26-23-
InChIKeyFCNHZAMUYVTIPY-RWEWTDSWSA-N
XLogP4.64
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dimethylphenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide
CID 51367522
2-(3-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide
CID 51367537
2-(2-chloro-5-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95185059
2-(4-chloro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide
CID 51366983
2-(4-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide
CID 51367538
2-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367154
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95185039
2-(2,3-dimethylphenyl)imino-N-(furan-2-ylmethyl)-7-hydroxychromene-3-carboxamide
CID 135531856
2-(4-fluorophenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1135040
2-(2,5-difluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367635
2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide
CID 51366994

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)imino-N-(furan-2-ylmethyl)-8-methoxychromene-3-carboxamide?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)imino-N-(furan-2-ylmethyl)-8-methoxychromene-3-carboxamide (CID 51368279) is 2-(4-fluoro-2-methylphenyl)imino-N-(furan-2-ylmethyl)-8-methoxychromene-3-carboxamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)imino-N-(furan-2-ylmethyl)-8-methoxychromene-3-carboxamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)imino-N-(furan-2-ylmethyl)-8-methoxychromene-3-carboxamide is COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(F)cc3C)oc12.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)imino-N-(furan-2-ylmethyl)-8-methoxychromene-3-carboxamide?
The InChIKey is FCNHZAMUYVTIPY-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-14-11-16(24)8-9-19(14)26-23-18(22(27)25-13-17-6-4-10-29-17)12-15-5-3-7-20(28-2)21(15)30-23/h3-12H,13H2,1-2H3,(H,25,27)/b26-23-.
What are the key properties of 2-(4-fluoro-2-methylphenyl)imino-N-(furan-2-ylmethyl)-8-methoxychromene-3-carboxamide?
2-(4-fluoro-2-methylphenyl)imino-N-(furan-2-ylmethyl)-8-methoxychromene-3-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)imino-N-(furan-2-ylmethyl)-8-methoxychromene-3-carboxamide is sourced from PubChem (CID 51368279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).