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

C25H21ClN2O2 — CID 51367964

IUPAC2-(4-chloro-3-methylphenyl)imino-N-(2,4-dimethylphenyl)chromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)c(C)c2)c(C)c1
InChIInChI=1S/C25H21ClN2O2/c1-15-8-11-22(17(3)12-15)28-24(29)20-14-18-6-4-5-7-23(18)30-25(20)27-19-9-10-21(26)16(2)13-19/h4-14H,1-3H3,(H,28,29)/b27-25-
InChIKeyHXYKKQVIGBAIGT-RFBIWTDZSA-N
MW416.91 g/mol
LogP6.50
Rot. Bonds3

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

2-(4-chloro-3-methylphenyl)imino-N-(2,4-dimethylphenyl)chromene-3-carboxamide (PubChem CID 51367964) has the molecular formula C25H21ClN2O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenyl)imino-N-(2,4-dimethylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenyl)imino-N-(2,4-dimethylphenyl)chromene-3-carboxamide
PubChem CID51367964
Molecular FormulaC25H21ClN2O2
Molecular Weight416.91 g/mol
Exact Mass416.13
IUPAC Name2-(4-chloro-3-methylphenyl)imino-N-(2,4-dimethylphenyl)chromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)c(C)c2)c(C)c1
InChIInChI=1S/C25H21ClN2O2/c1-15-8-11-22(17(3)12-15)28-24(29)20-14-18-6-4-5-7-23(18)30-25(20)27-19-9-10-21(26)16(2)13-19/h4-14H,1-3H3,(H,28,29)/b27-25-
InChIKeyHXYKKQVIGBAIGT-RFBIWTDZSA-N
XLogP6.50
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2,4-dimethylphenyl)-2-(2-fluorophenyl)iminochromene-3-carboxamide
CID 51367934
2-(4-chloro-3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367699
N-(2,4-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)iminochromene-3-carboxamide
CID 51367954
2-(2-chlorophenyl)imino-N-(2-methylphenyl)chromene-3-carboxamide
CID 51367890
N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide
CID 51367283
N-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide
CID 51367871
2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368049
2-(3-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367703
2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 5085744
2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367843

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenyl)imino-N-(2,4-dimethylphenyl)chromene-3-carboxamide?
The IUPAC name of 2-(4-chloro-3-methylphenyl)imino-N-(2,4-dimethylphenyl)chromene-3-carboxamide (CID 51367964) is 2-(4-chloro-3-methylphenyl)imino-N-(2,4-dimethylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenyl)imino-N-(2,4-dimethylphenyl)chromene-3-carboxamide?
The canonical SMILES for 2-(4-chloro-3-methylphenyl)imino-N-(2,4-dimethylphenyl)chromene-3-carboxamide is Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)c(C)c2)c(C)c1.
What is the InChIKey of 2-(4-chloro-3-methylphenyl)imino-N-(2,4-dimethylphenyl)chromene-3-carboxamide?
The InChIKey is HXYKKQVIGBAIGT-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H21ClN2O2/c1-15-8-11-22(17(3)12-15)28-24(29)20-14-18-6-4-5-7-23(18)30-25(20)27-19-9-10-21(26)16(2)13-19/h4-14H,1-3H3,(H,28,29)/b27-25-.
What are the key properties of 2-(4-chloro-3-methylphenyl)imino-N-(2,4-dimethylphenyl)chromene-3-carboxamide?
2-(4-chloro-3-methylphenyl)imino-N-(2,4-dimethylphenyl)chromene-3-carboxamide has a molecular weight of 416.91 g/mol, XLogP of 6.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenyl)imino-N-(2,4-dimethylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 51367964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).