8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide

C19H16ClNO3 — CID 100794759

IUPAC8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc2cccc(Cl)c2oc1=O
InChIInChI=1S/C19H16ClNO3/c1-3-12-7-4-6-11(2)16(12)21-18(22)14-10-13-8-5-9-15(20)17(13)24-19(14)23/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyGODUSOXTTFHLJG-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.57
Rot. Bonds3

About 8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide

8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide (PubChem CID 100794759) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide
PubChem CID100794759
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc2cccc(Cl)c2oc1=O
InChIInChI=1S/C19H16ClNO3/c1-3-12-7-4-6-11(2)16(12)21-18(22)14-10-13-8-5-9-15(20)17(13)24-19(14)23/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyGODUSOXTTFHLJG-UHFFFAOYSA-N
XLogP4.57
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide
CID 100794927
N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794147
N-(2-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794157
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
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
2,4-dichloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 779360
8-chloro-N-(2-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 100794922
8-chloro-N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 100794846
2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 63659820
N-(1,3-benzodioxol-5-yl)-8-chloro-2-oxochromene-3-carboxamide
CID 100794837
N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 801526

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide (CID 100794759) is 8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide is CCc1cccc(C)c1NC(=O)c1cc2cccc(Cl)c2oc1=O.
What is the InChIKey of 8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is GODUSOXTTFHLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-3-12-7-4-6-11(2)16(12)21-18(22)14-10-13-8-5-9-15(20)17(13)24-19(14)23/h4-10H,3H2,1-2H3,(H,21,22).
What are the key properties of 8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide?
8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 341.79 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 100794759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).