2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide

C14H19ClN2O3 — CID 12810720

IUPAC2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide
SMILESCCc1cccc(C)c1N(CC(=O)N(C)O)C(=O)CCl
InChIInChI=1S/C14H19ClN2O3/c1-4-11-7-5-6-10(2)14(11)17(12(18)8-15)9-13(19)16(3)20/h5-7,20H,4,8-9H2,1-3H3
InChIKeyMVTLSFIYISMFNL-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.98
Rot. Bonds5

About 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide

2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide (PubChem CID 12810720) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide.

Molecular Properties

Compound Name2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide
PubChem CID12810720
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide
SMILESCCc1cccc(C)c1N(CC(=O)N(C)O)C(=O)CCl
InChIInChI=1S/C14H19ClN2O3/c1-4-11-7-5-6-10(2)14(11)17(12(18)8-15)9-13(19)16(3)20/h5-7,20H,4,8-9H2,1-3H3
InChIKeyMVTLSFIYISMFNL-UHFFFAOYSA-N
XLogP1.98
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide
CID 154104180
2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide
CID 12810715
2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide
CID 163807844
3-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)propane-1-sulfonic acid
CID 57055307
2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide
CID 154317163
N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide
CID 11312129
3-amino-N-(2-ethyl-6-methylphenyl)-N-methylpropanamide
CID 28795015
N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide
CID 19873472
2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide
CID 15685142
2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 70581631
2,2-dichloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 154731362
2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethanesulfonic acid
CID 6426848

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide?
The IUPAC name of 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide (CID 12810720) is 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide.
What is the SMILES notation for 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide?
The canonical SMILES for 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide is CCc1cccc(C)c1N(CC(=O)N(C)O)C(=O)CCl.
What is the InChIKey of 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide?
The InChIKey is MVTLSFIYISMFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-4-11-7-5-6-10(2)14(11)17(12(18)8-15)9-13(19)16(3)20/h5-7,20H,4,8-9H2,1-3H3.
What are the key properties of 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide?
2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide has a molecular weight of 298.77 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide is sourced from PubChem (CID 12810720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).