N-(4-acetamidophenyl)-2H-chromene-3-carboxamide

C18H16N2O3 — CID 7465016

IUPACN-(4-acetamidophenyl)-2H-chromene-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C18H16N2O3/c1-12(21)19-15-6-8-16(9-7-15)20-18(22)14-10-13-4-2-3-5-17(13)23-11-14/h2-10H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyKGISUBKQZUVDMG-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.06
Rot. Bonds3

About N-(4-acetamidophenyl)-2H-chromene-3-carboxamide

N-(4-acetamidophenyl)-2H-chromene-3-carboxamide (PubChem CID 7465016) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2H-chromene-3-carboxamide
PubChem CID7465016
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(4-acetamidophenyl)-2H-chromene-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C18H16N2O3/c1-12(21)19-15-6-8-16(9-7-15)20-18(22)14-10-13-4-2-3-5-17(13)23-11-14/h2-10H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyKGISUBKQZUVDMG-UHFFFAOYSA-N
XLogP3.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-2H-chromene-3-carboxamide
CID 9042646
N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide
CID 26782775
N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide
CID 17418033
N-(3-methylphenyl)-2H-chromene-3-carboxamide
CID 7464936
N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide
CID 26736929
N-methyl-2H-chromene-3-carboxamide
CID 13029267
N-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide
CID 26975924
N-(1-acetyl-2,3-dihydroindol-5-yl)-2H-chromene-3-carboxamide
CID 26783321
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2H-chromene-3-carboxamide
CID 26955320
N-(2-fluorophenyl)-2H-chromene-3-carboxamide
CID 7464960
N-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide
CID 9042933
N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide
CID 9046682

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2H-chromene-3-carboxamide (CID 7465016) is N-(4-acetamidophenyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2H-chromene-3-carboxamide is CC(=O)Nc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2H-chromene-3-carboxamide?
The InChIKey is KGISUBKQZUVDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(21)19-15-6-8-16(9-7-15)20-18(22)14-10-13-4-2-3-5-17(13)23-11-14/h2-10H,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-acetamidophenyl)-2H-chromene-3-carboxamide?
N-(4-acetamidophenyl)-2H-chromene-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 7465016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).