N-(2-aminoethyl)-2-chloropropanamide

C5H11ClN2O — CID 61250987

IUPACN-(2-aminoethyl)-2-chloropropanamide
SMILESCC(Cl)C(=O)NCCN
InChIInChI=1S/C5H11ClN2O/c1-4(6)5(9)8-3-2-7/h4H,2-3,7H2,1H3,(H,8,9)
InChIKeyHIEFBDOFBFVALM-UHFFFAOYSA-N
MW150.61 g/mol
LogP-0.31
Rot. Bonds3

About N-(2-aminoethyl)-2-chloropropanamide

N-(2-aminoethyl)-2-chloropropanamide (PubChem CID 61250987) has the molecular formula C5H11ClN2O and a molecular weight of 150.61 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-chloropropanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-chloropropanamide
PubChem CID61250987
Molecular FormulaC5H11ClN2O
Molecular Weight150.61 g/mol
Exact Mass150.06
IUPAC NameN-(2-aminoethyl)-2-chloropropanamide
SMILESCC(Cl)C(=O)NCCN
InChIInChI=1S/C5H11ClN2O/c1-4(6)5(9)8-3-2-7/h4H,2-3,7H2,1H3,(H,8,9)
InChIKeyHIEFBDOFBFVALM-UHFFFAOYSA-N
XLogP-0.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 5-0.31
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

(2S)-2-chloro-N-prop-2-enylpropanamide
CID 14203945
(2S,3R,4S,5R)-N,N'-bis(2-aminoethyl)-2,3,4,5-tetrahydroxyhexanediamide
CID 59188977
N-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide
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N-(2-aminoethyl)-4-methyl-2-propan-2-ylpentanamide
CID 118593084
2-chloro-N-(3-methylsulfanylpropyl)propanamide
CID 63965545
2-amino-N-(2-aminoethyl)propanamide;rutherfordium
CID 173496992
1-(2-aminoethyl)-3-propan-2-ylurea
CID 13030915
ethyl 4-(2-chloropropanoylamino)butanoate
CID 64576746
2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 43567045
(2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide
CID 92660589
N-(2-aminoethyl)-2-(dimethylamino)-4-methylpentanamide
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CID 131862944

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-chloropropanamide?
The IUPAC name of N-(2-aminoethyl)-2-chloropropanamide (CID 61250987) is N-(2-aminoethyl)-2-chloropropanamide.
What is the SMILES notation for N-(2-aminoethyl)-2-chloropropanamide?
The canonical SMILES for N-(2-aminoethyl)-2-chloropropanamide is CC(Cl)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-chloropropanamide?
The InChIKey is HIEFBDOFBFVALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClN2O/c1-4(6)5(9)8-3-2-7/h4H,2-3,7H2,1H3,(H,8,9).
What are the key properties of N-(2-aminoethyl)-2-chloropropanamide?
N-(2-aminoethyl)-2-chloropropanamide has a molecular weight of 150.61 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-chloropropanamide is sourced from PubChem (CID 61250987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).