2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide

C15H19Cl2NO2 — CID 15137839

IUPAC2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)CCl)C(=C(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H19Cl2NO2/c1-11(2)15(12-4-6-13(17)7-5-12)18(8-9-20-3)14(19)10-16/h4-7H,8-10H2,1-3H3
InChIKeyILUQRZJVZVVODG-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.80
Rot. Bonds6

About 2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide

2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide (PubChem CID 15137839) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide
PubChem CID15137839
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)CCl)C(=C(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H19Cl2NO2/c1-11(2)15(12-4-6-13(17)7-5-12)18(8-9-20-3)14(19)10-16/h4-7H,8-10H2,1-3H3
InChIKeyILUQRZJVZVVODG-UHFFFAOYSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
CID 122590274
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone
CID 54986707
1-(4-chlorophenyl)-3-[3-methoxypropyl(methyl)amino]propan-1-one
CID 63010086
2-chloro-N-hex-3-en-3-yl-N-(2-methoxyethyl)acetamide
CID 54271116
2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid
CID 61447818
3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea
CID 108891943
1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea
CID 47133922
1-(2,4-dichlorophenyl)-4-methoxybutan-2-one
CID 62621708
2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide
CID 166406350
2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16915037
2-chloro-N-(4-chlorophenyl)-N-methylacetamide
CID 12603569

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide (CID 15137839) is 2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide is COCCN(C(=O)CCl)C(=C(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is ILUQRZJVZVVODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-11(2)15(12-4-6-13(17)7-5-12)18(8-9-20-3)14(19)10-16/h4-7H,8-10H2,1-3H3.
What are the key properties of 2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide?
2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 316.23 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 15137839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).