N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

C18H16INO3 — CID 108793309

IUPACN-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3ccc(I)cc3)ccc2O1
InChIInChI=1S/C18H16INO3/c1-18(2)10-15(21)14-9-11(3-8-16(14)23-18)17(22)20-13-6-4-12(19)5-7-13/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyUESZMUKVRVMDND-UHFFFAOYSA-N
MW421.23 g/mol
LogP4.29
Rot. Bonds2

About N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (PubChem CID 108793309) has the molecular formula C18H16INO3 and a molecular weight of 421.23 g/mol. Its IUPAC name is N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
PubChem CID108793309
Molecular FormulaC18H16INO3
Molecular Weight421.23 g/mol
Exact Mass421.02
IUPAC NameN-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3ccc(I)cc3)ccc2O1
InChIInChI=1S/C18H16INO3/c1-18(2)10-15(21)14-9-11(3-8-16(14)23-18)17(22)20-13-6-4-12(19)5-7-13/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyUESZMUKVRVMDND-UHFFFAOYSA-N
XLogP4.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805240
N-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793202
N-(4-ethoxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793188
3-[[4-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]benzoyl]amino]propanoic acid
CID 108805234
N-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793317
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805246
N-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805235
2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide
CID 108793239
4-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxybenzoic acid
CID 108744223
2,2-dimethyl-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide
CID 108727448
2,2-dimethyl-4-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-3H-chromene-6-carboxamide
CID 108744668
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793302

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The IUPAC name of N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (CID 108793309) is N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(I)cc3)ccc2O1.
What is the InChIKey of N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The InChIKey is UESZMUKVRVMDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16INO3/c1-18(2)10-15(21)14-9-11(3-8-16(14)23-18)17(22)20-13-6-4-12(19)5-7-13/h3-9H,10H2,1-2H3,(H,20,22).
What are the key properties of N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide has a molecular weight of 421.23 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is sourced from PubChem (CID 108793309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).