N-(3-methylphenyl)-2H-chromene-3-carboxamide

C17H15NO2 — CID 7464936

IUPACN-(3-methylphenyl)-2H-chromene-3-carboxamide
SMILESCc1cccc(NC(=O)C2=Cc3ccccc3OC2)c1
InChIInChI=1S/C17H15NO2/c1-12-5-4-7-15(9-12)18-17(19)14-10-13-6-2-3-8-16(13)20-11-14/h2-10H,11H2,1H3,(H,18,19)
InChIKeyCYKREUTWWKVGNA-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.41
Rot. Bonds2

About N-(3-methylphenyl)-2H-chromene-3-carboxamide

N-(3-methylphenyl)-2H-chromene-3-carboxamide (PubChem CID 7464936) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(3-methylphenyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2H-chromene-3-carboxamide
PubChem CID7464936
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC NameN-(3-methylphenyl)-2H-chromene-3-carboxamide
SMILESCc1cccc(NC(=O)C2=Cc3ccccc3OC2)c1
InChIInChI=1S/C17H15NO2/c1-12-5-4-7-15(9-12)18-17(19)14-10-13-6-2-3-8-16(13)20-11-14/h2-10H,11H2,1H3,(H,18,19)
InChIKeyCYKREUTWWKVGNA-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide
CID 26975924
N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016
N-[3-(thiophene-2-carbonylamino)phenyl]-2H-chromene-3-carboxamide
CID 31516670
N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide
CID 26736929
N-(4-acetylphenyl)-2H-chromene-3-carboxamide
CID 9042646
N-(2-methoxy-5-methylphenyl)-2H-chromene-3-carboxamide
CID 17416535
N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide
CID 26782775
N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide
CID 9046682
N-methyl-2H-chromene-3-carboxamide
CID 13029267
N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide
CID 7465015
N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide
CID 17418033
ethyl 3-[(6-bromo-2H-chromene-3-carbonyl)amino]benzoate
CID 22578505

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2H-chromene-3-carboxamide (CID 7464936) is N-(3-methylphenyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2H-chromene-3-carboxamide is Cc1cccc(NC(=O)C2=Cc3ccccc3OC2)c1.
What is the InChIKey of N-(3-methylphenyl)-2H-chromene-3-carboxamide?
The InChIKey is CYKREUTWWKVGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12-5-4-7-15(9-12)18-17(19)14-10-13-6-2-3-8-16(13)20-11-14/h2-10H,11H2,1H3,(H,18,19).
What are the key properties of N-(3-methylphenyl)-2H-chromene-3-carboxamide?
N-(3-methylphenyl)-2H-chromene-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 7464936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).