N-(3,4-dimethylphenyl)-2H-chromene-3-carboxamide

C18H17NO2 — CID 7464948

IUPACN-(3,4-dimethylphenyl)-2H-chromene-3-carboxamide
SMILESCc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1C
InChIInChI=1S/C18H17NO2/c1-12-7-8-16(9-13(12)2)19-18(20)15-10-14-5-3-4-6-17(14)21-11-15/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyIHFVUYKAAKJAHJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.72
Rot. Bonds2

About N-(3,4-dimethylphenyl)-2H-chromene-3-carboxamide

N-(3,4-dimethylphenyl)-2H-chromene-3-carboxamide (PubChem CID 7464948) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2H-chromene-3-carboxamide
PubChem CID7464948
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-(3,4-dimethylphenyl)-2H-chromene-3-carboxamide
SMILESCc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1C
InChIInChI=1S/C18H17NO2/c1-12-7-8-16(9-13(12)2)19-18(20)15-10-14-5-3-4-6-17(14)21-11-15/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyIHFVUYKAAKJAHJ-UHFFFAOYSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2H-chromene-3-carboxamide (CID 7464948) is N-(3,4-dimethylphenyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2H-chromene-3-carboxamide is Cc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2H-chromene-3-carboxamide?
The InChIKey is IHFVUYKAAKJAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-7-8-16(9-13(12)2)19-18(20)15-10-14-5-3-4-6-17(14)21-11-15/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(3,4-dimethylphenyl)-2H-chromene-3-carboxamide?
N-(3,4-dimethylphenyl)-2H-chromene-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 7464948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).