2-(2,3-dimethylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide

C25H22N2O3 — CID 986292

IUPAC2-(2,3-dimethylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C)c2C)cc1
InChIInChI=1S/C25H22N2O3/c1-16-7-6-9-22(17(16)2)27-25-21(15-18-8-4-5-10-23(18)30-25)24(28)26-19-11-13-20(29-3)14-12-19/h4-15H,1-3H3,(H,26,28)/b27-25-
InChIKeySONXHNLMJBLYGP-RFBIWTDZSA-N
MW398.46 g/mol
LogP5.54
Rot. Bonds4

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

2-(2,3-dimethylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide (PubChem CID 986292) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
PubChem CID986292
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name2-(2,3-dimethylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C)c2C)cc1
InChIInChI=1S/C25H22N2O3/c1-16-7-6-9-22(17(16)2)27-25-21(15-18-8-4-5-10-23(18)30-25)24(28)26-19-11-13-20(29-3)14-12-19/h4-15H,1-3H3,(H,26,28)/b27-25-
InChIKeySONXHNLMJBLYGP-RFBIWTDZSA-N
XLogP5.54
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(2-methylphenyl)iminochromene-3-carboxamide
CID 51370435
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
2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368055
N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide
CID 3963313
2-(2,3-dimethylphenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide
CID 51367522
2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370455
N-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide
CID 3954525
2-(5-chloro-2-methylphenyl)imino-N-phenylchromene-3-carboxamide
CID 53334867
2-(2-chlorophenyl)imino-N-(2-methylphenyl)chromene-3-carboxamide
CID 51367890
(2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893574
N-(2,4-dimethylphenyl)-2-(2-methylphenyl)iminochromene-3-carboxamide
CID 51370469

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide?
The IUPAC name of 2-(2,3-dimethylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide (CID 986292) is 2-(2,3-dimethylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide.
What is the SMILES notation for 2-(2,3-dimethylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide?
The canonical SMILES for 2-(2,3-dimethylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide is COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C)c2C)cc1.
What is the InChIKey of 2-(2,3-dimethylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide?
The InChIKey is SONXHNLMJBLYGP-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-16-7-6-9-22(17(16)2)27-25-21(15-18-8-4-5-10-23(18)30-25)24(28)26-19-11-13-20(29-3)14-12-19/h4-15H,1-3H3,(H,26,28)/b27-25-.
What are the key properties of 2-(2,3-dimethylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide?
2-(2,3-dimethylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide is sourced from PubChem (CID 986292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).