2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide

C15H21ClN2O2 — CID 154104180

IUPAC2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(C(=O)CCl)c1c(C)cccc1CC
InChIInChI=1S/C15H21ClN2O2/c1-4-12-8-6-7-11(3)15(12)18(14(20)9-16)10-13(19)17-5-2/h6-8H,4-5,9-10H2,1-3H3,(H,17,19)
InChIKeyMFOPMMKWABJHOW-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.27
Rot. Bonds6

About 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide

2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide (PubChem CID 154104180) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide
PubChem CID154104180
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(C(=O)CCl)c1c(C)cccc1CC
InChIInChI=1S/C15H21ClN2O2/c1-4-12-8-6-7-11(3)15(12)18(14(20)9-16)10-13(19)17-5-2/h6-8H,4-5,9-10H2,1-3H3,(H,17,19)
InChIKeyMFOPMMKWABJHOW-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide
CID 12810720
2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide
CID 154317163
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-(N-acetyl-2-ethyl-6-methylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 113169493
2-(N-acetyl-2-ethyl-6-methylanilino)-N-propan-2-ylacetamide
CID 113169400
2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide
CID 12810715
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113169512
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-fluorophenyl)acetamide
CID 113169505
N-(2-ethyl-6-methylphenyl)-N-[(methylcarbamoylamino)methyl]butanamide
CID 134124662
N-(acetamidomethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide;2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 67899906
3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113125511

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide?
The IUPAC name of 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide (CID 154104180) is 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide?
The canonical SMILES for 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide is CCNC(=O)CN(C(=O)CCl)c1c(C)cccc1CC.
What is the InChIKey of 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide?
The InChIKey is MFOPMMKWABJHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-4-12-8-6-7-11(3)15(12)18(14(20)9-16)10-13(19)17-5-2/h6-8H,4-5,9-10H2,1-3H3,(H,17,19).
What are the key properties of 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide?
2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide has a molecular weight of 296.80 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide is sourced from PubChem (CID 154104180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).