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

C17H18ClN3O4 — CID 9136571

IUPAC2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
SMILESCOc1ccc(Cl)cc1CN(C)CC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H18ClN3O4/c1-20(10-12-9-13(18)7-8-16(12)25-2)11-17(22)19-14-5-3-4-6-15(14)21(23)24/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyPAWVELBGTMNJCG-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.33
Rot. Bonds7

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

2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide (PubChem CID 9136571) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
PubChem CID9136571
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
SMILESCOc1ccc(Cl)cc1CN(C)CC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H18ClN3O4/c1-20(10-12-9-13(18)7-8-16(12)25-2)11-17(22)19-14-5-3-4-6-15(14)21(23)24/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyPAWVELBGTMNJCG-UHFFFAOYSA-N
XLogP3.33
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide
CID 27245257
N-(4-chloro-2-nitrophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 4880362
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dichlorophenyl)acetamide
CID 9136519
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8553749
ethyl 2-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9136539
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4967870
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-chloro-4-methylphenyl)acetamide
CID 9136429
2-(2-methoxyphenyl)-N-(2-nitrophenyl)acetamide
CID 3253389
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8805437
N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251343
N-(5-chloro-2-methoxyphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550831
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 8961830

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide (CID 9136571) is 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide is COc1ccc(Cl)cc1CN(C)CC(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide?
The InChIKey is PAWVELBGTMNJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-20(10-12-9-13(18)7-8-16(12)25-2)11-17(22)19-14-5-3-4-6-15(14)21(23)24/h3-9H,10-11H2,1-2H3,(H,19,22).
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide?
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide has a molecular weight of 363.80 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 9136571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).