N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide

C24H19ClN2O2 — CID 51367283

IUPACN-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide
SMILESCc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C24H19ClN2O2/c1-15-7-10-20(13-16(15)2)27-24-21(14-17-5-3-4-6-22(17)29-24)23(28)26-19-11-8-18(25)9-12-19/h3-14H,1-2H3,(H,26,28)/b27-24-
InChIKeyZAFAYYRGPWJBOM-PNHLSOANSA-N
MW402.88 g/mol
LogP6.19
Rot. Bonds3

About N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide

N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide (PubChem CID 51367283) has the molecular formula C24H19ClN2O2 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide
PubChem CID51367283
Molecular FormulaC24H19ClN2O2
Molecular Weight402.88 g/mol
Exact Mass402.11
IUPAC NameN-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide
SMILESCc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C24H19ClN2O2/c1-15-7-10-20(13-16(15)2)27-24-21(14-17-5-3-4-6-22(17)29-24)23(28)26-19-11-8-18(25)9-12-19/h3-14H,1-2H3,(H,26,28)/b27-24-
InChIKeyZAFAYYRGPWJBOM-PNHLSOANSA-N
XLogP6.19
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.88
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methoxyphenyl)imino-N-(4-chlorophenyl)chromene-3-carboxamide
CID 51367328
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
N-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide
CID 51367296
2-(5-chloro-2-methylphenyl)imino-N-phenylchromene-3-carboxamide
CID 53334867
2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368055
2-(4-chloro-3-methylphenyl)imino-N-(2,4-dimethylphenyl)chromene-3-carboxamide
CID 51367964
2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367843
2-(4-chloro-3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367699
2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367859
2-(3,5-difluorophenyl)imino-N-phenylchromene-3-carboxamide
CID 51367987
2-(4-carbamoylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368024

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide (CID 51367283) is N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide is Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1C.
What is the InChIKey of N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide?
The InChIKey is ZAFAYYRGPWJBOM-PNHLSOANSA-N. The full InChI is InChI=1S/C24H19ClN2O2/c1-15-7-10-20(13-16(15)2)27-24-21(14-17-5-3-4-6-22(17)29-24)23(28)26-19-11-8-18(25)9-12-19/h3-14H,1-2H3,(H,26,28)/b27-24-.
What are the key properties of N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide?
N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide has a molecular weight of 402.88 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 51367283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).