2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide

C18H15FN2O3 — CID 51366994

IUPAC2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide
SMILESCOc1cccc2cc(C(N)=O)/c(=N/c3cccc(F)c3C)oc12
InChIInChI=1S/C18H15FN2O3/c1-10-13(19)6-4-7-14(10)21-18-12(17(20)22)9-11-5-3-8-15(23-2)16(11)24-18/h3-9H,1-2H3,(H2,20,22)/b21-18-
InChIKeyAVZIZDCNFFYKFB-UZYVYHOESA-N
MW326.33 g/mol
LogP3.22
Rot. Bonds3

About 2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide

2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide (PubChem CID 51366994) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide
PubChem CID51366994
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide
SMILESCOc1cccc2cc(C(N)=O)/c(=N/c3cccc(F)c3C)oc12
InChIInChI=1S/C18H15FN2O3/c1-10-13(19)6-4-7-14(10)21-18-12(17(20)22)9-11-5-3-8-15(23-2)16(11)24-18/h3-9H,1-2H3,(H2,20,22)/b21-18-
InChIKeyAVZIZDCNFFYKFB-UZYVYHOESA-N
XLogP3.22
TPSA77.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide
CID 51366983
2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide
CID 51370461
2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide
CID 51366970
8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4038165
methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate
CID 51366960
2-(2-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367145
2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide
CID 39844710
7-hydroxy-2-(2-methoxyphenyl)iminochromene-3-carboxamide
CID 135456842
8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4227887
2-(2,5-difluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367635
2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95185082
2-(4-fluoro-2-methylphenyl)imino-N-(furan-2-ylmethyl)-8-methoxychromene-3-carboxamide
CID 51368279

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide?
The IUPAC name of 2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide (CID 51366994) is 2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide.
What is the SMILES notation for 2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide?
The canonical SMILES for 2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide is COc1cccc2cc(C(N)=O)/c(=N/c3cccc(F)c3C)oc12.
What is the InChIKey of 2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide?
The InChIKey is AVZIZDCNFFYKFB-UZYVYHOESA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-10-13(19)6-4-7-14(10)21-18-12(17(20)22)9-11-5-3-8-15(23-2)16(11)24-18/h3-9H,1-2H3,(H2,20,22)/b21-18-.
What are the key properties of 2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide?
2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide is sourced from PubChem (CID 51366994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).