2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide

C19H21ClN4O6 — CID 4967870

IUPAC2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(Cl)ccc2OC)c([N+](=O)[O-])c1
InChIInChI=1S/C19H21ClN4O6/c1-23(11-19(26)22-15-8-12(20)4-7-17(15)30-3)10-18(25)21-14-6-5-13(29-2)9-16(14)24(27)28/h4-9H,10-11H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyNPCILYOGYQFVHR-UHFFFAOYSA-N
MW436.85 g/mol
LogP2.77
Rot. Bonds9

About 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 4967870) has the molecular formula C19H21ClN4O6 and a molecular weight of 436.85 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID4967870
Molecular FormulaC19H21ClN4O6
Molecular Weight436.85 g/mol
Exact Mass436.11
IUPAC Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(Cl)ccc2OC)c([N+](=O)[O-])c1
InChIInChI=1S/C19H21ClN4O6/c1-23(11-19(26)22-15-8-12(20)4-7-17(15)30-3)10-18(25)21-14-6-5-13(29-2)9-16(14)24(27)28/h4-9H,10-11H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyNPCILYOGYQFVHR-UHFFFAOYSA-N
XLogP2.77
TPSA123.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.85
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729454
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide
CID 27245257
2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19202489
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 9136571
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9054049
methyl 3-[[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-2-carboxylate
CID 24566418
N-(4-chloro-2-nitrophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 4880362
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-3-nitrobenzamide
CID 9438078
N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78765457
2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 31728423

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide (CID 4967870) is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(Cl)ccc2OC)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is NPCILYOGYQFVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O6/c1-23(11-19(26)22-15-8-12(20)4-7-17(15)30-3)10-18(25)21-14-6-5-13(29-2)9-16(14)24(27)28/h4-9H,10-11H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide?
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 436.85 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 4967870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).