2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide

C11H13Cl2NO — CID 3338024

IUPAC2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)C(Cl)Cl)c1ccccc1C
InChIInChI=1S/C11H13Cl2NO/c1-3-14(11(15)10(12)13)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3
InChIKeyBJAAKEAPSDGQEQ-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.15
Rot. Bonds3

About 2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide

2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide (PubChem CID 3338024) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide
PubChem CID3338024
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)C(Cl)Cl)c1ccccc1C
InChIInChI=1S/C11H13Cl2NO/c1-3-14(11(15)10(12)13)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3
InChIKeyBJAAKEAPSDGQEQ-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,2-difluoro-N-(2-methylphenyl)acetamide
CID 103515266
3-(N-ethyl-2-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896860
N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide
CID 3396233
N-ethyl-2-methyl-N-(2-methylphenyl)pentanamide
CID 2890658
N-ethyl-2-methyl-3-(methylamino)-N-(2-methylphenyl)propanamide
CID 79196148
(2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide
CID 61148945
2,2-dichloro-N-(2-methylphenyl)-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide
CID 70568179
2-amino-N-ethyl-4-methoxy-N-(2-methylphenyl)butanamide
CID 62472432
N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylphenyl)butanamide
CID 76925161
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-yloxamide
CID 47332754
2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 61184616
3-bromo-N-ethyl-N-(2-methylphenyl)prop-2-ynamide
CID 130642345

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide (CID 3338024) is 2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide is CCN(C(=O)C(Cl)Cl)c1ccccc1C.
What is the InChIKey of 2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide?
The InChIKey is BJAAKEAPSDGQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-3-14(11(15)10(12)13)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3.
What are the key properties of 2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide?
2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide has a molecular weight of 246.14 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 3338024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).