2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide

C7H14ClN3O2 — CID 43146174

IUPAC2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide
SMILESCN(C)CCNC(=O)NC(=O)CCl
InChIInChI=1S/C7H14ClN3O2/c1-11(2)4-3-9-7(13)10-6(12)5-8/h3-5H2,1-2H3,(H2,9,10,12,13)
InChIKeyUJXTVLMASXGWGH-UHFFFAOYSA-N
MW207.66 g/mol
LogP-0.39
Rot. Bonds4

About 2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide

2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide (PubChem CID 43146174) has the molecular formula C7H14ClN3O2 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide
PubChem CID43146174
Molecular FormulaC7H14ClN3O2
Molecular Weight207.66 g/mol
Exact Mass207.08
IUPAC Name2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide
SMILESCN(C)CCNC(=O)NC(=O)CCl
InChIInChI=1S/C7H14ClN3O2/c1-11(2)4-3-9-7(13)10-6(12)5-8/h3-5H2,1-2H3,(H2,9,10,12,13)
InChIKeyUJXTVLMASXGWGH-UHFFFAOYSA-N
XLogP-0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide
CID 62848521
2-chloro-N-(ethylcarbamoyl)acetamide
CID 2304790
2-(dimethylamino)ethylcarbamic acid;hydrochloride
CID 118321795
N-[2-(dimethylamino)ethyl]carbamoyl chloride
CID 87387045
1-[2-(dimethylamino)ethyl]-3-methylurea;propane
CID 158826025
N-[2-(carbamoylamino)ethylcarbamoyl]-2-chloroacetamide
CID 83114145
2-(dimethylamino)ethylurea
CID 16785331
2-amino-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride
CID 56832115
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
4-[3-(dimethylamino)propylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300125
2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid
CID 16784119
3-chloro-N-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]propanamide
CID 106041039

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide (CID 43146174) is 2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide is CN(C)CCNC(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide?
The InChIKey is UJXTVLMASXGWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN3O2/c1-11(2)4-3-9-7(13)10-6(12)5-8/h3-5H2,1-2H3,(H2,9,10,12,13).
What are the key properties of 2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide?
2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide has a molecular weight of 207.66 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide is sourced from PubChem (CID 43146174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).