2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide

C12H15ClN2O4 — CID 13022595

IUPAC2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide
SMILESCCOCN(C(=O)CCl)c1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H15ClN2O4/c1-3-19-8-14(11(16)7-13)12-9(2)5-4-6-10(12)15(17)18/h4-6H,3,7-8H2,1-2H3
InChIKeyRWXXPYYWDDTMRZ-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.47
Rot. Bonds6

About 2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide

2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide (PubChem CID 13022595) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide
PubChem CID13022595
Molecular FormulaC12H15ClN2O4
Molecular Weight286.72 g/mol
Exact Mass286.07
IUPAC Name2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide
SMILESCCOCN(C(=O)CCl)c1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H15ClN2O4/c1-3-19-8-14(11(16)7-13)12-9(2)5-4-6-10(12)15(17)18/h4-6H,3,7-8H2,1-2H3
InChIKeyRWXXPYYWDDTMRZ-UHFFFAOYSA-N
XLogP2.47
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide?
The IUPAC name of 2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide (CID 13022595) is 2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide?
The canonical SMILES for 2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide is CCOCN(C(=O)CCl)c1c(C)cccc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide?
The InChIKey is RWXXPYYWDDTMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-3-19-8-14(11(16)7-13)12-9(2)5-4-6-10(12)15(17)18/h4-6H,3,7-8H2,1-2H3.
What are the key properties of 2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide?
2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide has a molecular weight of 286.72 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide is sourced from PubChem (CID 13022595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).