N-(2-chloroethoxy)-N-(2-methyl-4-nitrophenyl)acetamide

C11H13ClN2O4 — CID 121223351

IUPACN-(2-chloroethoxy)-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCC(=O)N(OCCCl)c1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C11H13ClN2O4/c1-8-7-10(14(16)17)3-4-11(8)13(9(2)15)18-6-5-12/h3-4,7H,5-6H2,1-2H3
InChIKeyCBQYFROZNPHXBO-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.43
Rot. Bonds5

About N-(2-chloroethoxy)-N-(2-methyl-4-nitrophenyl)acetamide

N-(2-chloroethoxy)-N-(2-methyl-4-nitrophenyl)acetamide (PubChem CID 121223351) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is N-(2-chloroethoxy)-N-(2-methyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloroethoxy)-N-(2-methyl-4-nitrophenyl)acetamide
PubChem CID121223351
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC NameN-(2-chloroethoxy)-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCC(=O)N(OCCCl)c1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C11H13ClN2O4/c1-8-7-10(14(16)17)3-4-11(8)13(9(2)15)18-6-5-12/h3-4,7H,5-6H2,1-2H3
InChIKeyCBQYFROZNPHXBO-UHFFFAOYSA-N
XLogP2.43
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-4-nitrophenyl)-N-propylacetamide
CID 142884407
2-chloroethyl N-(2-methyl-5-nitrophenyl)carbamate
CID 4140211
N'-methyl-N'-(2-methyl-4-nitrophenyl)propane-1,3-diamine
CID 115319475
1-(2-methyl-4-nitrophenyl)ethanone
CID 13043891
2-methyl-4-nitro-N,N-bis(prop-2-enyl)aniline
CID 11379268
N-(2-chloroethyl)-N-ethyl-2-methyl-4-nitrobenzamide
CID 55187034
N,N-dihydroxy-2-methyl-5-nitroaniline
CID 87329382
[4-[bis(2-chloroethyl)amino]-3-methylphenyl] N-(4-nitrophenyl)carbamate
CID 15222108
1-(2-bromoethoxy)-2-methyl-4-nitrobenzene
CID 102536841
methyl 2-(2-methyl-4-nitrophenyl)acetate
CID 10081813
methyl 2-(2-methyl-N-(4-methylphenyl)sulfonyl-4-nitroanilino)acetate
CID 50894197
N-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 2072497

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
The IUPAC name of N-(2-chloroethoxy)-N-(2-methyl-4-nitrophenyl)acetamide (CID 121223351) is N-(2-chloroethoxy)-N-(2-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-chloroethoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for N-(2-chloroethoxy)-N-(2-methyl-4-nitrophenyl)acetamide is CC(=O)N(OCCCl)c1ccc([N+](=O)[O-])cc1C.
What is the InChIKey of N-(2-chloroethoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
The InChIKey is CBQYFROZNPHXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-8-7-10(14(16)17)3-4-11(8)13(9(2)15)18-6-5-12/h3-4,7H,5-6H2,1-2H3.
What are the key properties of N-(2-chloroethoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
N-(2-chloroethoxy)-N-(2-methyl-4-nitrophenyl)acetamide has a molecular weight of 272.69 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethoxy)-N-(2-methyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 121223351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).