2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide

C11H11Cl3N2O2 — CID 43328744

IUPAC2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide
SMILESCC(NC(=O)NC(=O)CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl3N2O2/c1-6(15-11(18)16-10(17)5-12)8-3-2-7(13)4-9(8)14/h2-4,6H,5H2,1H3,(H2,15,16,17,18)
InChIKeyDSTCAJGIEUERQX-UHFFFAOYSA-N
MW309.58 g/mol
LogP3.12
Rot. Bonds3

About 2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide

2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide (PubChem CID 43328744) has the molecular formula C11H11Cl3N2O2 and a molecular weight of 309.58 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide
PubChem CID43328744
Molecular FormulaC11H11Cl3N2O2
Molecular Weight309.58 g/mol
Exact Mass307.99
IUPAC Name2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide
SMILESCC(NC(=O)NC(=O)CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl3N2O2/c1-6(15-11(18)16-10(17)5-12)8-3-2-7(13)4-9(8)14/h2-4,6H,5H2,1H3,(H2,15,16,17,18)
InChIKeyDSTCAJGIEUERQX-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.58
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
CID 61184371
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea
CID 29023001
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 99820692
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 99820693
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
2-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 61184551
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9253724
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide (CID 43328744) is 2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide is CC(NC(=O)NC(=O)CCl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide?
The InChIKey is DSTCAJGIEUERQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3N2O2/c1-6(15-11(18)16-10(17)5-12)8-3-2-7(13)4-9(8)14/h2-4,6H,5H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide?
2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide has a molecular weight of 309.58 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide is sourced from PubChem (CID 43328744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).