N-(4-chloro-2,6-diethylphenyl)-4-oxo-2-propylchromene-3-carboxamide

C23H24ClNO3 — CID 139794938

IUPACN-(4-chloro-2,6-diethylphenyl)-4-oxo-2-propylchromene-3-carboxamide
SMILESCCCc1oc2ccccc2c(=O)c1C(=O)Nc1c(CC)cc(Cl)cc1CC
InChIInChI=1S/C23H24ClNO3/c1-4-9-19-20(22(26)17-10-7-8-11-18(17)28-19)23(27)25-21-14(5-2)12-16(24)13-15(21)6-3/h7-8,10-13H,4-6,9H2,1-3H3,(H,25,27)
InChIKeyBOXZMRWLRKZEQF-UHFFFAOYSA-N
MW397.90 g/mol
LogP5.78
Rot. Bonds6

About N-(4-chloro-2,6-diethylphenyl)-4-oxo-2-propylchromene-3-carboxamide

N-(4-chloro-2,6-diethylphenyl)-4-oxo-2-propylchromene-3-carboxamide (PubChem CID 139794938) has the molecular formula C23H24ClNO3 and a molecular weight of 397.90 g/mol. Its IUPAC name is N-(4-chloro-2,6-diethylphenyl)-4-oxo-2-propylchromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,6-diethylphenyl)-4-oxo-2-propylchromene-3-carboxamide
PubChem CID139794938
Molecular FormulaC23H24ClNO3
Molecular Weight397.90 g/mol
Exact Mass397.14
IUPAC NameN-(4-chloro-2,6-diethylphenyl)-4-oxo-2-propylchromene-3-carboxamide
SMILESCCCc1oc2ccccc2c(=O)c1C(=O)Nc1c(CC)cc(Cl)cc1CC
InChIInChI=1S/C23H24ClNO3/c1-4-9-19-20(22(26)17-10-7-8-11-18(17)28-19)23(27)25-21-14(5-2)12-16(24)13-15(21)6-3/h7-8,10-13H,4-6,9H2,1-3H3,(H,25,27)
InChIKeyBOXZMRWLRKZEQF-UHFFFAOYSA-N
XLogP5.78
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.90
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide
CID 139794944
2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide
CID 139794959
N-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide
CID 14127185
N-(2,6-diethyl-4-methoxyphenyl)-5,6-dimethyl-4-oxo-2-propylpyran-3-carboxamide
CID 14300032
2-butyl-N-methyl-1-benzofuran-3-carboxamide
CID 141114520
2-(2-ethyl-4-oxochromen-3-yl)acetic acid
CID 19096361
3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide
CID 108793598
ethyl 2-(chloromethyl)-4-oxochromene-3-carboxylate
CID 154715605
N-(2,4-diethyldibenzofuran-1-yl)benzamide
CID 123671650
bis(2-hexyl-1-benzofuran-3-yl)methanone
CID 102288992
2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide
CID 167782612
2-ethyl-4-oxochromene-3-carbonitrile
CID 102579893

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,6-diethylphenyl)-4-oxo-2-propylchromene-3-carboxamide?
The IUPAC name of N-(4-chloro-2,6-diethylphenyl)-4-oxo-2-propylchromene-3-carboxamide (CID 139794938) is N-(4-chloro-2,6-diethylphenyl)-4-oxo-2-propylchromene-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,6-diethylphenyl)-4-oxo-2-propylchromene-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,6-diethylphenyl)-4-oxo-2-propylchromene-3-carboxamide is CCCc1oc2ccccc2c(=O)c1C(=O)Nc1c(CC)cc(Cl)cc1CC.
What is the InChIKey of N-(4-chloro-2,6-diethylphenyl)-4-oxo-2-propylchromene-3-carboxamide?
The InChIKey is BOXZMRWLRKZEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO3/c1-4-9-19-20(22(26)17-10-7-8-11-18(17)28-19)23(27)25-21-14(5-2)12-16(24)13-15(21)6-3/h7-8,10-13H,4-6,9H2,1-3H3,(H,25,27).
What are the key properties of N-(4-chloro-2,6-diethylphenyl)-4-oxo-2-propylchromene-3-carboxamide?
N-(4-chloro-2,6-diethylphenyl)-4-oxo-2-propylchromene-3-carboxamide has a molecular weight of 397.90 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,6-diethylphenyl)-4-oxo-2-propylchromene-3-carboxamide is sourced from PubChem (CID 139794938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).