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

C18H15NO3 — CID 9042646

IUPACN-(4-acetylphenyl)-2H-chromene-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C18H15NO3/c1-12(20)13-6-8-16(9-7-13)19-18(21)15-10-14-4-2-3-5-17(14)22-11-15/h2-10H,11H2,1H3,(H,19,21)
InChIKeyQBCUYARIRHJNFT-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.30
Rot. Bonds3

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

N-(4-acetylphenyl)-2H-chromene-3-carboxamide (PubChem CID 9042646) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2H-chromene-3-carboxamide
PubChem CID9042646
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-(4-acetylphenyl)-2H-chromene-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C18H15NO3/c1-12(20)13-6-8-16(9-7-13)19-18(21)15-10-14-4-2-3-5-17(14)22-11-15/h2-10H,11H2,1H3,(H,19,21)
InChIKeyQBCUYARIRHJNFT-UHFFFAOYSA-N
XLogP3.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016
N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide
CID 26782775
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-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide
CID 17418033
N-(1-acetyl-2,3-dihydroindol-5-yl)-2H-chromene-3-carboxamide
CID 26783321
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
methyl 2-(2H-chromene-3-carbonylamino)benzoate
CID 7464984
6-fluoro-N-(4-fluorophenyl)-2H-chromene-3-carboxamide
CID 146123471

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2H-chromene-3-carboxamide (CID 9042646) is N-(4-acetylphenyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2H-chromene-3-carboxamide is CC(=O)c1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2H-chromene-3-carboxamide?
The InChIKey is QBCUYARIRHJNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12(20)13-6-8-16(9-7-13)19-18(21)15-10-14-4-2-3-5-17(14)22-11-15/h2-10H,11H2,1H3,(H,19,21).
What are the key properties of N-(4-acetylphenyl)-2H-chromene-3-carboxamide?
N-(4-acetylphenyl)-2H-chromene-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 9042646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).