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

C18H17NO2 — CID 9042933

IUPACN-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide
SMILESCc1cccc(NC(=O)C2=Cc3ccccc3OC2)c1C
InChIInChI=1S/C18H17NO2/c1-12-6-5-8-16(13(12)2)19-18(20)15-10-14-7-3-4-9-17(14)21-11-15/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeySSVPAXNPRIBQIX-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.72
Rot. Bonds2

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

N-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide (PubChem CID 9042933) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide
PubChem CID9042933
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide
SMILESCc1cccc(NC(=O)C2=Cc3ccccc3OC2)c1C
InChIInChI=1S/C18H17NO2/c1-12-6-5-8-16(13(12)2)19-18(20)15-10-14-7-3-4-9-17(14)21-11-15/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeySSVPAXNPRIBQIX-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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Related Compounds

N-(2-fluorophenyl)-2H-chromene-3-carboxamide
CID 7464960
methyl 2-(2H-chromene-3-carbonylamino)benzoate
CID 7464984
N-(4-acetylphenyl)-2H-chromene-3-carboxamide
CID 9042646
N-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide
CID 26975924
N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide
CID 26782775
N-[2-(prop-2-enylcarbamoyl)phenyl]-2H-chromene-3-carboxamide
CID 18090143
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide
CID 34193245
N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide
CID 17418033
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide
CID 9046682
N-cyclooctyl-2H-chromene-3-carboxamide
CID 22578430
N-(3-hydroxybutyl)-2H-chromene-3-carboxamide
CID 111429331

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide (CID 9042933) is N-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide is Cc1cccc(NC(=O)C2=Cc3ccccc3OC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide?
The InChIKey is SSVPAXNPRIBQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-6-5-8-16(13(12)2)19-18(20)15-10-14-7-3-4-9-17(14)21-11-15/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide?
N-(2,3-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-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 9042933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).