5-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-methoxybenzamide

C19H18ClNO4 — CID 108765396

IUPAC5-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2
InChIInChI=1S/C19H18ClNO4/c1-19(2)10-15(22)13-9-12(5-7-17(13)25-19)21-18(23)14-8-11(20)4-6-16(14)24-3/h4-9H,10H2,1-3H3,(H,21,23)
InChIKeyFELVVJGLYJTNGE-UHFFFAOYSA-N
MW359.81 g/mol
LogP4.34
Rot. Bonds3

About 5-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-methoxybenzamide

5-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-methoxybenzamide (PubChem CID 108765396) has the molecular formula C19H18ClNO4 and a molecular weight of 359.81 g/mol. Its IUPAC name is 5-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-methoxybenzamide
PubChem CID108765396
Molecular FormulaC19H18ClNO4
Molecular Weight359.81 g/mol
Exact Mass359.09
IUPAC Name5-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2
InChIInChI=1S/C19H18ClNO4/c1-19(2)10-15(22)13-9-12(5-7-17(13)25-19)21-18(23)14-8-11(20)4-6-16(14)24-3/h4-9H,10H2,1-3H3,(H,21,23)
InChIKeyFELVVJGLYJTNGE-UHFFFAOYSA-N
XLogP4.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dichlorophenoxy)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)butanamide
CID 108742978
5-chloro-2-methoxy-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzamide
CID 40887246
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
2-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 108742963
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-hydroxy-5-(prop-2-enoylamino)benzamide
CID 166412586
N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108742967
5-chloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2-methoxybenzamide
CID 40887452
N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)pyridine-3-carboxamide
CID 108765324
5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 1007459
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805246
N-(4-bromo-3-methylphenyl)-5-chloro-2-methoxybenzamide
CID 2198688

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-methoxybenzamide (CID 108765396) is 5-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2.
What is the InChIKey of 5-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-methoxybenzamide?
The InChIKey is FELVVJGLYJTNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO4/c1-19(2)10-15(22)13-9-12(5-7-17(13)25-19)21-18(23)14-8-11(20)4-6-16(14)24-3/h4-9H,10H2,1-3H3,(H,21,23).
What are the key properties of 5-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-methoxybenzamide?
5-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-methoxybenzamide has a molecular weight of 359.81 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-methoxybenzamide is sourced from PubChem (CID 108765396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).