2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide

C24H26ClNO3 — CID 139794959

IUPAC2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide
SMILESCCCCc1oc2c(Cl)cccc2c(=O)c1C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C24H26ClNO3/c1-4-7-14-19-20(22(27)17-12-9-13-18(25)23(17)29-19)24(28)26-21-15(5-2)10-8-11-16(21)6-3/h8-13H,4-7,14H2,1-3H3,(H,26,28)
InChIKeyIEKBXHDWUFKHHG-UHFFFAOYSA-N
MW411.93 g/mol
LogP6.17
Rot. Bonds7

About 2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide

2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide (PubChem CID 139794959) has the molecular formula C24H26ClNO3 and a molecular weight of 411.93 g/mol. Its IUPAC name is 2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound Name2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide
PubChem CID139794959
Molecular FormulaC24H26ClNO3
Molecular Weight411.93 g/mol
Exact Mass411.16
IUPAC Name2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide
SMILESCCCCc1oc2c(Cl)cccc2c(=O)c1C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C24H26ClNO3/c1-4-7-14-19-20(22(27)17-12-9-13-18(25)23(17)29-19)24(28)26-21-15(5-2)10-8-11-16(21)6-3/h8-13H,4-7,14H2,1-3H3,(H,26,28)
InChIKeyIEKBXHDWUFKHHG-UHFFFAOYSA-N
XLogP6.17
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.93
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2,6-diethylphenyl)-4-oxo-2-propylchromene-3-carboxamide
CID 139794938
N-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide
CID 139794944
N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide
CID 23037899
N-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide
CID 14127185
2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 63659820
5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide
CID 21289349
5-bromo-N-(2,6-diethylphenyl)-2-(ethoxymethyl)-6-methyl-4-oxopyran-3-carboxamide
CID 19836506
8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide
CID 100794759
1-butyl-6-ethyl-N-(2-ethyl-6-methylphenyl)-2,5-dimethyl-4-oxopyridine-3-carboxamide
CID 23040834
3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide
CID 2788457
N-(2-chloro-6-ethylphenyl)acetamide
CID 130011952
1-butyl-5,6-diethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide
CID 23040511

Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide?
The IUPAC name of 2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide (CID 139794959) is 2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide.
What is the SMILES notation for 2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide?
The canonical SMILES for 2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide is CCCCc1oc2c(Cl)cccc2c(=O)c1C(=O)Nc1c(CC)cccc1CC.
What is the InChIKey of 2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide?
The InChIKey is IEKBXHDWUFKHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO3/c1-4-7-14-19-20(22(27)17-12-9-13-18(25)23(17)29-19)24(28)26-21-15(5-2)10-8-11-16(21)6-3/h8-13H,4-7,14H2,1-3H3,(H,26,28).
What are the key properties of 2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide?
2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide has a molecular weight of 411.93 g/mol, XLogP of 6.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 139794959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).