2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide

C24H19ClN2O3 — CID 51368049

IUPAC2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C24H19ClN2O3/c1-15-7-8-18(14-21(15)25)27-24-20(13-16-5-3-4-6-22(16)30-24)23(28)26-17-9-11-19(29-2)12-10-17/h3-14H,1-2H3,(H,26,28)/b27-24-
InChIKeyKOBDTSYBQXSJTF-PNHLSOANSA-N
MW418.88 g/mol
LogP5.89
Rot. Bonds4

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

2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide (PubChem CID 51368049) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
PubChem CID51368049
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Name2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C24H19ClN2O3/c1-15-7-8-18(14-21(15)25)27-24-20(13-16-5-3-4-6-22(16)30-24)23(28)26-17-9-11-19(29-2)12-10-17/h3-14H,1-2H3,(H,26,28)/b27-24-
InChIKeyKOBDTSYBQXSJTF-PNHLSOANSA-N
XLogP5.89
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methoxyphenyl)imino-N-(4-chlorophenyl)chromene-3-carboxamide
CID 51367328
N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide
CID 51367283
2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368055
2-(4-carbamoylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368024
2-(2,3-dimethylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 986292
N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide
CID 3963313
2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370455
2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367859
N-(4-chlorophenyl)-2-(2-methylphenyl)iminochromene-3-carboxamide
CID 51370435
2-(5-chloro-2-methylphenyl)imino-N-phenylchromene-3-carboxamide
CID 53334867
N-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide
CID 51367296
6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 35218231

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide?
The IUPAC name of 2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide (CID 51368049) is 2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide is COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide?
The InChIKey is KOBDTSYBQXSJTF-PNHLSOANSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-15-7-8-18(14-21(15)25)27-24-20(13-16-5-3-4-6-22(16)30-24)23(28)26-17-9-11-19(29-2)12-10-17/h3-14H,1-2H3,(H,26,28)/b27-24-.
What are the key properties of 2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide?
2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide has a molecular weight of 418.88 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide is sourced from PubChem (CID 51368049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).