8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide

C19H16ClNO3 — CID 100794927

IUPAC8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc3cccc(Cl)c3oc2=O)c(C)c1
InChIInChI=1S/C19H16ClNO3/c1-10-7-11(2)16(12(3)8-10)21-18(22)14-9-13-5-4-6-15(20)17(13)24-19(14)23/h4-9H,1-3H3,(H,21,22)
InChIKeyMTJOOFKYGFZILE-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.62
Rot. Bonds2

About 8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide

8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide (PubChem CID 100794927) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide
PubChem CID100794927
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc3cccc(Cl)c3oc2=O)c(C)c1
InChIInChI=1S/C19H16ClNO3/c1-10-7-11(2)16(12(3)8-10)21-18(22)14-9-13-5-4-6-15(20)17(13)24-19(14)23/h4-9H,1-3H3,(H,21,22)
InChIKeyMTJOOFKYGFZILE-UHFFFAOYSA-N
XLogP4.62
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide
CID 100794759
N-(2-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794157
8-chloro-N-(2-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 100794922
8-chloro-N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 100794846
8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide
CID 100794805
8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 100794843
8-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 100794958
8-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide
CID 100794915
8-chloro-2-oxo-N-[(2S)-pentan-2-yl]chromene-3-carboxamide
CID 100794917
8-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxochromene-3-carboxamide
CID 100794839
N-(1,3-benzodioxol-5-yl)-8-chloro-2-oxochromene-3-carboxamide
CID 100794837
8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide
CID 19288997

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide?
The IUPAC name of 8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide (CID 100794927) is 8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide?
The canonical SMILES for 8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide is Cc1cc(C)c(NC(=O)c2cc3cccc(Cl)c3oc2=O)c(C)c1.
What is the InChIKey of 8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide?
The InChIKey is MTJOOFKYGFZILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-10-7-11(2)16(12(3)8-10)21-18(22)14-9-13-5-4-6-15(20)17(13)24-19(14)23/h4-9H,1-3H3,(H,21,22).
What are the key properties of 8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide?
8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide has a molecular weight of 341.79 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 100794927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).