2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide

C22H21FN2O4 — CID 95185039

IUPAC2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3cccc(F)c3)oc12
InChIInChI=1S/C22H21FN2O4/c1-27-19-9-2-5-14-11-18(21(26)24-13-17-8-4-10-28-17)22(29-20(14)19)25-16-7-3-6-15(23)12-16/h2-3,5-7,9,11-12,17H,4,8,10,13H2,1H3,(H,24,26)/b25-22-/t17-/m1/s1
InChIKeyORDOKJBKPHRQTN-JUZPYSENSA-N
MW396.42 g/mol
LogP3.72
Rot. Bonds5

About 2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide

2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide (PubChem CID 95185039) has the molecular formula C22H21FN2O4 and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
PubChem CID95185039
Molecular FormulaC22H21FN2O4
Molecular Weight396.42 g/mol
Exact Mass396.15
IUPAC Name2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3cccc(F)c3)oc12
InChIInChI=1S/C22H21FN2O4/c1-27-19-9-2-5-14-11-18(21(26)24-13-17-8-4-10-28-17)22(29-20(14)19)25-16-7-3-6-15(23)12-16/h2-3,5-7,9,11-12,17H,4,8,10,13H2,1H3,(H,24,26)/b25-22-/t17-/m1/s1
InChIKeyORDOKJBKPHRQTN-JUZPYSENSA-N
XLogP3.72
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1135040
8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
CID 95185070
2-(2-chloro-5-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95185059
2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51367191
ethyl 4-[[8-methoxy-3-[[(2R)-oxolan-2-yl]methylcarbamoyl]chromen-2-ylidene]amino]benzoate
CID 95185035
2-(3-chloro-2-fluorophenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95185062
ethyl 4-[[8-methoxy-3-[[(2S)-oxolan-2-yl]methylcarbamoyl]chromen-2-ylidene]amino]benzoate
CID 95185034
2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95185082
2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135631749
2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1134964
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777862
6-bromo-2-(3-methylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366891

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide (CID 95185039) is 2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide is COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3cccc(F)c3)oc12.
What is the InChIKey of 2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The InChIKey is ORDOKJBKPHRQTN-JUZPYSENSA-N. The full InChI is InChI=1S/C22H21FN2O4/c1-27-19-9-2-5-14-11-18(21(26)24-13-17-8-4-10-28-17)22(29-20(14)19)25-16-7-3-6-15(23)12-16/h2-3,5-7,9,11-12,17H,4,8,10,13H2,1H3,(H,24,26)/b25-22-/t17-/m1/s1.
What are the key properties of 2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?
2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide is sourced from PubChem (CID 95185039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).