6-cyano-2,2-dimethyl-N-phenylchromene-4-carboxamide

C19H16N2O2 — CID 15054570

IUPAC6-cyano-2,2-dimethyl-N-phenylchromene-4-carboxamide
SMILESCC1(C)C=C(C(=O)Nc2ccccc2)c2cc(C#N)ccc2O1
InChIInChI=1S/C19H16N2O2/c1-19(2)11-16(18(22)21-14-6-4-3-5-7-14)15-10-13(12-20)8-9-17(15)23-19/h3-11H,1-2H3,(H,21,22)
InChIKeyZOJCCRHKBRZASW-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.75
Rot. Bonds2

About 6-cyano-2,2-dimethyl-N-phenylchromene-4-carboxamide

6-cyano-2,2-dimethyl-N-phenylchromene-4-carboxamide (PubChem CID 15054570) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-cyano-2,2-dimethyl-N-phenylchromene-4-carboxamide.

Molecular Properties

Compound Name6-cyano-2,2-dimethyl-N-phenylchromene-4-carboxamide
PubChem CID15054570
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name6-cyano-2,2-dimethyl-N-phenylchromene-4-carboxamide
SMILESCC1(C)C=C(C(=O)Nc2ccccc2)c2cc(C#N)ccc2O1
InChIInChI=1S/C19H16N2O2/c1-19(2)11-16(18(22)21-14-6-4-3-5-7-14)15-10-13(12-20)8-9-17(15)23-19/h3-11H,1-2H3,(H,21,22)
InChIKeyZOJCCRHKBRZASW-UHFFFAOYSA-N
XLogP3.75
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-2,2-dimethyl-N-phenylchromene-4-carboxamide?
The IUPAC name of 6-cyano-2,2-dimethyl-N-phenylchromene-4-carboxamide (CID 15054570) is 6-cyano-2,2-dimethyl-N-phenylchromene-4-carboxamide.
What is the SMILES notation for 6-cyano-2,2-dimethyl-N-phenylchromene-4-carboxamide?
The canonical SMILES for 6-cyano-2,2-dimethyl-N-phenylchromene-4-carboxamide is CC1(C)C=C(C(=O)Nc2ccccc2)c2cc(C#N)ccc2O1.
What is the InChIKey of 6-cyano-2,2-dimethyl-N-phenylchromene-4-carboxamide?
The InChIKey is ZOJCCRHKBRZASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-19(2)11-16(18(22)21-14-6-4-3-5-7-14)15-10-13(12-20)8-9-17(15)23-19/h3-11H,1-2H3,(H,21,22).
What are the key properties of 6-cyano-2,2-dimethyl-N-phenylchromene-4-carboxamide?
6-cyano-2,2-dimethyl-N-phenylchromene-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-2,2-dimethyl-N-phenylchromene-4-carboxamide is sourced from PubChem (CID 15054570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).