2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide

C15H20Cl2N2O2 — CID 154317163

IUPAC2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide
SMILESCCc1cccc(CC)c1N(CNC(=O)CCl)C(=O)CCl
InChIInChI=1S/C15H20Cl2N2O2/c1-3-11-6-5-7-12(4-2)15(11)19(14(21)9-17)10-18-13(20)8-16/h5-7H,3-4,8-10H2,1-2H3,(H,18,20)
InChIKeyWDPKAIJJSCPITJ-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.70
Rot. Bonds7

About 2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide

2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide (PubChem CID 154317163) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide
PubChem CID154317163
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide
SMILESCCc1cccc(CC)c1N(CNC(=O)CCl)C(=O)CCl
InChIInChI=1S/C15H20Cl2N2O2/c1-3-11-6-5-7-12(4-2)15(11)19(14(21)9-17)10-18-13(20)8-16/h5-7H,3-4,8-10H2,1-2H3,(H,18,20)
InChIKeyWDPKAIJJSCPITJ-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide
CID 163807844
2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide
CID 154104180
2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide
CID 15685142
2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide
CID 21403992
2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide
CID 12810720
N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide
CID 19873472
2-chloro-N-(2,6-diethylphenyl)-N-(1,3-dioxepan-2-ylmethyl)acetamide
CID 21403978
2-chloro-N-(2,6-diethylphenyl)-N-(2-phenoxyethyl)acetamide
CID 12769785
N-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide
CID 88710767
N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
CID 6448437
2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 21424325
2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide
CID 166408958

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide (CID 154317163) is 2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide is CCc1cccc(CC)c1N(CNC(=O)CCl)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide?
The InChIKey is WDPKAIJJSCPITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-3-11-6-5-7-12(4-2)15(11)19(14(21)9-17)10-18-13(20)8-16/h5-7H,3-4,8-10H2,1-2H3,(H,18,20).
What are the key properties of 2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide?
2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide has a molecular weight of 331.24 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide is sourced from PubChem (CID 154317163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).