6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide

C23H23ClN2O3 — CID 51366998

About 6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide

6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (PubChem CID 51366998) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is 6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
• PubChem CID: 51366998
• Molecular Formula: C23H23ClN2O3
• Molecular Weight: 410.90 g/mol
• Exact Mass: 410.14
• IUPAC Name: 6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
• SMILES: Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCC2CCCO2)cc1C
• InChI: InChI=1S/C23H23ClN2O3/c1-14-5-7-18(10-15(14)2)26-23-20(22(27)25-13-19-4-3-9-28-19)12-16-11-17(24)6-8-21(16)29-23/h5-8,10-12,19H,3-4,9,13H2,1-2H3,(H,25,27)/b26-23-
• InChIKey: TUIIKLXIEWVNNU-RWEWTDSWSA-N
• XLogP: 4.84
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.90
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?

The IUPAC name of 6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (CID 51366998) is 6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.

What is the SMILES notation for 6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?

The canonical SMILES for 6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCC2CCCO2)cc1C.

What is the InChIKey of 6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?

The InChIKey is TUIIKLXIEWVNNU-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-14-5-7-18(10-15(14)2)26-23-20(22(27)25-13-19-4-3-9-28-19)12-16-11-17(24)6-8-21(16)29-23/h5-8,10-12,19H,3-4,9,13H2,1-2H3,(H,25,27)/b26-23-.

What are the key properties of 6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?

6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 410.90 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 51366998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).