N-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide

C26H24N2O2 — CID 51367871

IUPACN-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(C(C)C)cc1
InChIInChI=1S/C26H24N2O2/c1-17(2)19-12-14-21(15-13-19)27-26-22(16-20-9-5-7-11-24(20)30-26)25(29)28-23-10-6-4-8-18(23)3/h4-17H,1-3H3,(H,28,29)/b27-26-
InChIKeyDLHNUQXWPKKBMC-RQZHXJHFSA-N
MW396.49 g/mol
LogP6.35
Rot. Bonds4

About N-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide

N-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide (PubChem CID 51367871) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide
PubChem CID51367871
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC NameN-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(C(C)C)cc1
InChIInChI=1S/C26H24N2O2/c1-17(2)19-12-14-21(15-13-19)27-26-22(16-20-9-5-7-11-24(20)30-26)25(29)28-23-10-6-4-8-18(23)3/h4-17H,1-3H3,(H,28,29)/b27-26-
InChIKeyDLHNUQXWPKKBMC-RQZHXJHFSA-N
XLogP6.35
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)imino-N-(2-methylphenyl)chromene-3-carboxamide
CID 51367890
2-(4-chloro-3-methylphenyl)imino-N-(2,4-dimethylphenyl)chromene-3-carboxamide
CID 51367964
N-(2,4-dimethylphenyl)-2-(2-methylphenyl)iminochromene-3-carboxamide
CID 51370469
ethyl 4-[[3-[(2,4-dimethylphenyl)carbamoyl]chromen-2-ylidene]amino]benzoate
CID 51367933
N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide
CID 51367283
6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide
CID 51367342
N-methyl-2-phenyliminochromene-3-carboxamide
CID 826595
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
CID 2135796
N-(2,4-dimethylphenyl)-2-(2-fluorophenyl)iminochromene-3-carboxamide
CID 51367934
N-(4-chlorophenyl)-2-(2-methylphenyl)iminochromene-3-carboxamide
CID 51370435
2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370455
2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 5085744

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide (CID 51367871) is N-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide is Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide?
The InChIKey is DLHNUQXWPKKBMC-RQZHXJHFSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-17(2)19-12-14-21(15-13-19)27-26-22(16-20-9-5-7-11-24(20)30-26)25(29)28-23-10-6-4-8-18(23)3/h4-17H,1-3H3,(H,28,29)/b27-26-.
What are the key properties of N-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide?
N-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 51367871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).