2-chloro-N-[ethyl(methyl)carbamoyl]acetamide

C6H11ClN2O2 — CID 43243232

IUPAC2-chloro-N-[ethyl(methyl)carbamoyl]acetamide
SMILESCCN(C)C(=O)NC(=O)CCl
InChIInChI=1S/C6H11ClN2O2/c1-3-9(2)6(11)8-5(10)4-7/h3-4H2,1-2H3,(H,8,10,11)
InChIKeyNEYMXXWYDJJJKB-UHFFFAOYSA-N
MW178.62 g/mol
LogP0.41
Rot. Bonds2

About 2-chloro-N-[ethyl(methyl)carbamoyl]acetamide

2-chloro-N-[ethyl(methyl)carbamoyl]acetamide (PubChem CID 43243232) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 2-chloro-N-[ethyl(methyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[ethyl(methyl)carbamoyl]acetamide
PubChem CID43243232
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Name2-chloro-N-[ethyl(methyl)carbamoyl]acetamide
SMILESCCN(C)C(=O)NC(=O)CCl
InChIInChI=1S/C6H11ClN2O2/c1-3-9(2)6(11)8-5(10)4-7/h3-4H2,1-2H3,(H,8,10,11)
InChIKeyNEYMXXWYDJJJKB-UHFFFAOYSA-N
XLogP0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 50.41
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

N-[butyl(methyl)carbamoyl]-2-chloroacetamide
CID 43114794
2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide
CID 43296215
2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]acetamide
CID 79864431
2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide
CID 43114793
5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43263658
3-amino-1-ethyl-1-methylurea
CID 43263702
2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide
CID 63275498
2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide
CID 43614380
N-acetyl-2-chloroacetamide
CID 2366697
N-ethyl-3-[[ethyl(methyl)carbamoyl]amino]propanamide
CID 116657785
2-chloro-N',N'-dimethylacetohydrazide
CID 12559346
propyl N-(2-chloroacetyl)carbamate
CID 57133881

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[ethyl(methyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[ethyl(methyl)carbamoyl]acetamide (CID 43243232) is 2-chloro-N-[ethyl(methyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[ethyl(methyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[ethyl(methyl)carbamoyl]acetamide is CCN(C)C(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[ethyl(methyl)carbamoyl]acetamide?
The InChIKey is NEYMXXWYDJJJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2O2/c1-3-9(2)6(11)8-5(10)4-7/h3-4H2,1-2H3,(H,8,10,11).
What are the key properties of 2-chloro-N-[ethyl(methyl)carbamoyl]acetamide?
2-chloro-N-[ethyl(methyl)carbamoyl]acetamide has a molecular weight of 178.62 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[ethyl(methyl)carbamoyl]acetamide is sourced from PubChem (CID 43243232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).