N-(2-chloro-4-nitrophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide

C18H20ClN3O4 — CID 4879551

IUPACN-(2-chloro-4-nitrophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C18H20ClN3O4/c1-3-26-15-7-4-13(5-8-15)11-21(2)12-18(23)20-17-9-6-14(22(24)25)10-16(17)19/h4-10H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyRBZKUXQAQXFMOO-UHFFFAOYSA-N
MW377.83 g/mol
LogP3.72
Rot. Bonds8

About N-(2-chloro-4-nitrophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide

N-(2-chloro-4-nitrophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide (PubChem CID 4879551) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
PubChem CID4879551
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C18H20ClN3O4/c1-3-26-15-7-4-13(5-8-15)11-21(2)12-18(23)20-17-9-6-14(22(24)25)10-16(17)19/h4-10H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyRBZKUXQAQXFMOO-UHFFFAOYSA-N
XLogP3.72
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 53.72
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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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide (CID 4879551) is N-(2-chloro-4-nitrophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide is CCOc1ccc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is RBZKUXQAQXFMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-3-26-15-7-4-13(5-8-15)11-21(2)12-18(23)20-17-9-6-14(22(24)25)10-16(17)19/h4-10H,3,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
N-(2-chloro-4-nitrophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 377.83 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 4879551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).