N-(2,6-dichlorophenyl)-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]acetamide

C20H18Cl2N2O4 — CID 27253817

IUPACN-(2,6-dichlorophenyl)-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]acetamide
SMILESCc1c(O)ccc2c(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)cc(=O)oc12
InChIInChI=1S/C20H18Cl2N2O4/c1-11-16(25)7-6-13-12(8-18(27)28-20(11)13)9-24(2)10-17(26)23-19-14(21)4-3-5-15(19)22/h3-8,25H,9-10H2,1-2H3,(H,23,26)
InChIKeyDUYKBVUWRURHPA-UHFFFAOYSA-N
MW421.28 g/mol
LogP4.18
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]acetamide

N-(2,6-dichlorophenyl)-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]acetamide (PubChem CID 27253817) has the molecular formula C20H18Cl2N2O4 and a molecular weight of 421.28 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]acetamide
PubChem CID27253817
Molecular FormulaC20H18Cl2N2O4
Molecular Weight421.28 g/mol
Exact Mass420.06
IUPAC NameN-(2,6-dichlorophenyl)-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]acetamide
SMILESCc1c(O)ccc2c(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)cc(=O)oc12
InChIInChI=1S/C20H18Cl2N2O4/c1-11-16(25)7-6-13-12(8-18(27)28-20(11)13)9-24(2)10-17(26)23-19-14(21)4-3-5-15(19)22/h3-8,25H,9-10H2,1-2H3,(H,23,26)
InChIKeyDUYKBVUWRURHPA-UHFFFAOYSA-N
XLogP4.18
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 55351320
4-[[(2-bromophenyl)methyl-methylamino]methyl]-7-hydroxy-8-methylchromen-2-one
CID 8515574
2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818836
2-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 17423821
2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51261102
4-[[cyclohexyl(methyl)amino]methyl]-7-hydroxy-8-methylchromen-2-one
CID 27134592
N-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide
CID 51109549
N-[3-[1-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]ethyl]phenyl]benzamide
CID 46688183
N-(2,6-dichlorophenyl)-2-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 18146935
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
2-[[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135887003
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 9286967

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]acetamide (CID 27253817) is N-(2,6-dichlorophenyl)-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]acetamide is Cc1c(O)ccc2c(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)cc(=O)oc12.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]acetamide?
The InChIKey is DUYKBVUWRURHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O4/c1-11-16(25)7-6-13-12(8-18(27)28-20(11)13)9-24(2)10-17(26)23-19-14(21)4-3-5-15(19)22/h3-8,25H,9-10H2,1-2H3,(H,23,26).
What are the key properties of N-(2,6-dichlorophenyl)-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]acetamide?
N-(2,6-dichlorophenyl)-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]acetamide has a molecular weight of 421.28 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 27253817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).