2-(3-chloropropanoylamino)propanamide

C6H11ClN2O2 — CID 43545572

IUPAC2-(3-chloropropanoylamino)propanamide
SMILESCC(NC(=O)CCCl)C(N)=O
InChIInChI=1S/C6H11ClN2O2/c1-4(6(8)11)9-5(10)2-3-7/h4H,2-3H2,1H3,(H2,8,11)(H,9,10)
InChIKeyWDZJKZRBQMOMFS-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.39
Rot. Bonds4

About 2-(3-chloropropanoylamino)propanamide

2-(3-chloropropanoylamino)propanamide (PubChem CID 43545572) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 2-(3-chloropropanoylamino)propanamide.

Molecular Properties

Compound Name2-(3-chloropropanoylamino)propanamide
PubChem CID43545572
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Name2-(3-chloropropanoylamino)propanamide
SMILESCC(NC(=O)CCCl)C(N)=O
InChIInChI=1S/C6H11ClN2O2/c1-4(6(8)11)9-5(10)2-3-7/h4H,2-3H2,1H3,(H2,8,11)(H,9,10)
InChIKeyWDZJKZRBQMOMFS-UHFFFAOYSA-N
XLogP-0.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.39
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

N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide
CID 54110104
N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide
CID 88911666
(2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride
CID 87710787
ethyl 4-[(1-amino-1-oxopropan-2-yl)amino]-4-oxobutanoate
CID 60698765
2-(3-chloropropanoylamino)-N,N-diethylpropanamide
CID 43696191
2-[3-(tert-butylamino)propanoylamino]propanamide
CID 60850067
3-chloro-N-pentan-3-ylpropanamide
CID 16783824
(2S)-2-(4-chlorobutanoylamino)propanoic acid
CID 18600219
3-chloro-N-propan-2-yloxypropanamide
CID 130815573
[(2R)-1-amino-1-oxopropan-2-yl]carbamic acid
CID 66814352
ethyl 2-(3-chloropropanoylamino)-3-methylpentanoate
CID 82110698
3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64630200

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropanoylamino)propanamide?
The IUPAC name of 2-(3-chloropropanoylamino)propanamide (CID 43545572) is 2-(3-chloropropanoylamino)propanamide.
What is the SMILES notation for 2-(3-chloropropanoylamino)propanamide?
The canonical SMILES for 2-(3-chloropropanoylamino)propanamide is CC(NC(=O)CCCl)C(N)=O.
What is the InChIKey of 2-(3-chloropropanoylamino)propanamide?
The InChIKey is WDZJKZRBQMOMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2O2/c1-4(6(8)11)9-5(10)2-3-7/h4H,2-3H2,1H3,(H2,8,11)(H,9,10).
What are the key properties of 2-(3-chloropropanoylamino)propanamide?
2-(3-chloropropanoylamino)propanamide has a molecular weight of 178.62 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropanoylamino)propanamide is sourced from PubChem (CID 43545572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).