3-[(2-chloroacetyl)-methylamino]-N-cyclopropylpropanamide

C9H15ClN2O2 — CID 146075742

IUPAC3-[(2-chloroacetyl)-methylamino]-N-cyclopropylpropanamide
SMILESCN(CCC(=O)NC1CC1)C(=O)CCl
InChIInChI=1S/C9H15ClN2O2/c1-12(9(14)6-10)5-4-8(13)11-7-2-3-7/h7H,2-6H2,1H3,(H,11,13)
InChIKeyHOEVTFXCIGTOCB-UHFFFAOYSA-N
MW218.68 g/mol
LogP0.35
Rot. Bonds5

About 3-[(2-chloroacetyl)-methylamino]-N-cyclopropylpropanamide

3-[(2-chloroacetyl)-methylamino]-N-cyclopropylpropanamide (PubChem CID 146075742) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is 3-[(2-chloroacetyl)-methylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(2-chloroacetyl)-methylamino]-N-cyclopropylpropanamide
PubChem CID146075742
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name3-[(2-chloroacetyl)-methylamino]-N-cyclopropylpropanamide
SMILESCN(CCC(=O)NC1CC1)C(=O)CCl
InChIInChI=1S/C9H15ClN2O2/c1-12(9(14)6-10)5-4-8(13)11-7-2-3-7/h7H,2-6H2,1H3,(H,11,13)
InChIKeyHOEVTFXCIGTOCB-UHFFFAOYSA-N
XLogP0.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 50.35
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-cyclopropyl-4-(dimethylamino)butanamide
CID 66617173
N-cyclopropyl-3-[2-hydroxypropyl(methyl)amino]propanamide
CID 62627967
N,N'-dicyclopropylbutanediamide
CID 5225156
2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide
CID 66565735
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid
CID 79400880
2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637395
4-chloro-N-cyclopropylbutanamide
CID 5152347
(2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide
CID 97218782
3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid
CID 62628133
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-cyclopropyl-3-[ethyl(pyrrolidin-3-yl)amino]propanamide
CID 63300096
N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 55002666

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloroacetyl)-methylamino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(2-chloroacetyl)-methylamino]-N-cyclopropylpropanamide (CID 146075742) is 3-[(2-chloroacetyl)-methylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(2-chloroacetyl)-methylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(2-chloroacetyl)-methylamino]-N-cyclopropylpropanamide is CN(CCC(=O)NC1CC1)C(=O)CCl.
What is the InChIKey of 3-[(2-chloroacetyl)-methylamino]-N-cyclopropylpropanamide?
The InChIKey is HOEVTFXCIGTOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2/c1-12(9(14)6-10)5-4-8(13)11-7-2-3-7/h7H,2-6H2,1H3,(H,11,13).
What are the key properties of 3-[(2-chloroacetyl)-methylamino]-N-cyclopropylpropanamide?
3-[(2-chloroacetyl)-methylamino]-N-cyclopropylpropanamide has a molecular weight of 218.68 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloroacetyl)-methylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 146075742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).