2-(2,5-difluorophenyl)imino-6-methoxychromene-3-carboxamide

C17H12F2N2O3 — CID 3641950

IUPAC2-(2,5-difluorophenyl)imino-6-methoxychromene-3-carboxamide
SMILESCOc1ccc2o/c(=N\c3cc(F)ccc3F)c(C(N)=O)cc2c1
InChIInChI=1S/C17H12F2N2O3/c1-23-11-3-5-15-9(6-11)7-12(16(20)22)17(24-15)21-14-8-10(18)2-4-13(14)19/h2-8H,1H3,(H2,20,22)/b21-17-
InChIKeyCLJKTRGNDGXPIY-FXBPSFAMSA-N
MW330.29 g/mol
LogP3.05
Rot. Bonds3

About 2-(2,5-difluorophenyl)imino-6-methoxychromene-3-carboxamide

2-(2,5-difluorophenyl)imino-6-methoxychromene-3-carboxamide (PubChem CID 3641950) has the molecular formula C17H12F2N2O3 and a molecular weight of 330.29 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)imino-6-methoxychromene-3-carboxamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)imino-6-methoxychromene-3-carboxamide
PubChem CID3641950
Molecular FormulaC17H12F2N2O3
Molecular Weight330.29 g/mol
Exact Mass330.08
IUPAC Name2-(2,5-difluorophenyl)imino-6-methoxychromene-3-carboxamide
SMILESCOc1ccc2o/c(=N\c3cc(F)ccc3F)c(C(N)=O)cc2c1
InChIInChI=1S/C17H12F2N2O3/c1-23-11-3-5-15-9(6-11)7-12(16(20)22)17(24-15)21-14-8-10(18)2-4-13(14)19/h2-8H,1H3,(H2,20,22)/b21-17-
InChIKeyCLJKTRGNDGXPIY-FXBPSFAMSA-N
XLogP3.05
TPSA77.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-imino-N-(4-methylphenyl)-2H-chromene-3-carboxamide
CID 703676
2-imino-N-phenyl-2H-chromene-3-carboxamide
CID 739354
2-imino-6-methoxy-N-phenyl-2H-chromene-3-carboxamide
CID 389249
2-imino-6-methoxy-N-(4-methylphenyl)chromene-3-carboxamide
CID 747667
2-Imino-6-methoxy-2H-chromene-3-carboxylic acid (2,3-dimethyl-phenyl)-amide
CID 839714
7-Methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide
CID 3419163
2-imino-6-methoxy-N-(3-methylphenyl)-2H-chromene-3-carboxamide
CID 3516854
N-(3-fluorophenyl)-2-imino-2H-chromene-3-carboxamide
CID 3938413
N-(4-fluorophenyl)-2-imino-2H-chromene-3-carboxamide
CID 4270012
2-imino-6-methoxy-N-(4-methoxyphenyl)-2H-chromene-3-carboxamide
CID 3245498
7-Methoxy-2-phenylimino-1-benzopyran-3-carboxamide
CID 3965509
N-(4-fluorophenyl)-2-imino-6-methoxy-2H-chromene-3-carboxamide
CID 4041375

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)imino-6-methoxychromene-3-carboxamide?
The IUPAC name of 2-(2,5-difluorophenyl)imino-6-methoxychromene-3-carboxamide (CID 3641950) is 2-(2,5-difluorophenyl)imino-6-methoxychromene-3-carboxamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)imino-6-methoxychromene-3-carboxamide?
The canonical SMILES for 2-(2,5-difluorophenyl)imino-6-methoxychromene-3-carboxamide is COc1ccc2o/c(=N\c3cc(F)ccc3F)c(C(N)=O)cc2c1.
What is the InChIKey of 2-(2,5-difluorophenyl)imino-6-methoxychromene-3-carboxamide?
The InChIKey is CLJKTRGNDGXPIY-FXBPSFAMSA-N. The full InChI is InChI=1S/C17H12F2N2O3/c1-23-11-3-5-15-9(6-11)7-12(16(20)22)17(24-15)21-14-8-10(18)2-4-13(14)19/h2-8H,1H3,(H2,20,22)/b21-17-.
What are the key properties of 2-(2,5-difluorophenyl)imino-6-methoxychromene-3-carboxamide?
2-(2,5-difluorophenyl)imino-6-methoxychromene-3-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)imino-6-methoxychromene-3-carboxamide is sourced from PubChem (CID 3641950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).