N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide

C18H20ClN3O5 — CID 27245257

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1CN(C)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C18H20ClN3O5/c1-21(10-12-8-14(22(24)25)5-7-16(12)26-2)11-18(23)20-15-9-13(19)4-6-17(15)27-3/h4-9H,10-11H2,1-3H3,(H,20,23)
InChIKeyWJURPZSHUFESBT-UHFFFAOYSA-N
MW393.83 g/mol
LogP3.34
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide (PubChem CID 27245257) has the molecular formula C18H20ClN3O5 and a molecular weight of 393.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide
PubChem CID27245257
Molecular FormulaC18H20ClN3O5
Molecular Weight393.83 g/mol
Exact Mass393.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1CN(C)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C18H20ClN3O5/c1-21(10-12-8-14(22(24)25)5-7-16(12)26-2)11-18(23)20-15-9-13(19)4-6-17(15)27-3/h4-9H,10-11H2,1-3H3,(H,20,23)
InChIKeyWJURPZSHUFESBT-UHFFFAOYSA-N
XLogP3.34
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 9136571
N-(5-chloro-2-methoxyphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550831
2-[(4-bromo-2,5-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 17439790
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 126131361
2-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9268719
N-(5-chloro-2-methoxyphenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide
CID 33083968
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4967870
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-methyl-3-pyridinyl)methyl]amino]acetamide
CID 75514741
2-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 55919130
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406721
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4880360

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide (CID 27245257) is N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide is COc1ccc([N+](=O)[O-])cc1CN(C)CC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide?
The InChIKey is WJURPZSHUFESBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O5/c1-21(10-12-8-14(22(24)25)5-7-16(12)26-2)11-18(23)20-15-9-13(19)4-6-17(15)27-3/h4-9H,10-11H2,1-3H3,(H,20,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide has a molecular weight of 393.83 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 27245257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).