2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide

C24H19FN2O4 — CID 51368055

IUPAC2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C24H19FN2O4/c1-29-18-10-7-16(8-11-18)26-23(28)19-13-15-5-3-4-6-21(15)31-24(19)27-17-9-12-22(30-2)20(25)14-17/h3-14H,1-2H3,(H,26,28)/b27-24-
InChIKeyPCIVONKFIUCYRT-PNHLSOANSA-N
MW418.42 g/mol
LogP5.07
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide

2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide (PubChem CID 51368055) has the molecular formula C24H19FN2O4 and a molecular weight of 418.42 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
PubChem CID51368055
Molecular FormulaC24H19FN2O4
Molecular Weight418.42 g/mol
Exact Mass418.13
IUPAC Name2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C24H19FN2O4/c1-29-18-10-7-16(8-11-18)26-23(28)19-13-15-5-3-4-6-21(15)31-24(19)27-17-9-12-22(30-2)20(25)14-17/h3-14H,1-2H3,(H,26,28)/b27-24-
InChIKeyPCIVONKFIUCYRT-PNHLSOANSA-N
XLogP5.07
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-methoxyphenyl)imino-N-(4-chlorophenyl)chromene-3-carboxamide
CID 51367328
2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368049
2-(4-carbamoylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368024
N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide
CID 51367283
N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide
CID 3963313
2-(2,3-dimethylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 986292
2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370455
2-(3,5-difluorophenyl)imino-N-phenylchromene-3-carboxamide
CID 51367987
N-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide
CID 51367296
6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 35218231
N-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide
CID 3954525
2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367859

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide (CID 51368055) is 2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide is COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide?
The InChIKey is PCIVONKFIUCYRT-PNHLSOANSA-N. The full InChI is InChI=1S/C24H19FN2O4/c1-29-18-10-7-16(8-11-18)26-23(28)19-13-15-5-3-4-6-21(15)31-24(19)27-17-9-12-22(30-2)20(25)14-17/h3-14H,1-2H3,(H,26,28)/b27-24-.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide?
2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide has a molecular weight of 418.42 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide is sourced from PubChem (CID 51368055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).