2-chloro-N-cyclopropylacetamide

C5H8ClNO — CID 735780

IUPAC2-chloro-N-cyclopropylacetamide
SMILESO=C(CCl)NC1CC1
InChIInChI=1S/C5H8ClNO/c6-3-5(8)7-4-1-2-4/h4H,1-3H2,(H,7,8)
InChIKeyZPWIVSGEQGESFF-UHFFFAOYSA-N
MW133.58 g/mol
LogP0.50
Rot. Bonds2

About 2-chloro-N-cyclopropylacetamide

2-chloro-N-cyclopropylacetamide (PubChem CID 735780) has the molecular formula C5H8ClNO and a molecular weight of 133.58 g/mol. Its IUPAC name is 2-chloro-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropylacetamide
PubChem CID735780
Molecular FormulaC5H8ClNO
Molecular Weight133.58 g/mol
Exact Mass133.03
IUPAC Name2-chloro-N-cyclopropylacetamide
SMILESO=C(CCl)NC1CC1
InChIInChI=1S/C5H8ClNO/c6-3-5(8)7-4-1-2-4/h4H,1-3H2,(H,7,8)
InChIKeyZPWIVSGEQGESFF-UHFFFAOYSA-N
XLogP0.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.58
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1-methylethyl)acetamide
CID 76171
N-butyl-2-chloroacetamide
CID 219645
2-chloro-N-cyclopentylacetamide
CID 1518777
2-chloro-N-(propan-2-yl)propanamide
CID 4961779
2-chloro-N-propylacetamide
CID 222357
2-chloro-N-(cyclopropylmethyl)acetamide
CID 18524753
2-Chloro-N-ethylpropionamide
CID 105620
N-(butan-2-yl)-2-chloroacetamide
CID 3138632
2-chloro-N-(pentan-2-yl)acetamide
CID 4048512
2-chloro-N-cyclopropylpropanamide
CID 4520013
3-chloro-N-cyclopropylpropanamide
CID 4991895
2-Chloro-N-(1-methylpropyl)propanamide
CID 14711532

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropylacetamide?
The IUPAC name of 2-chloro-N-cyclopropylacetamide (CID 735780) is 2-chloro-N-cyclopropylacetamide.
What is the SMILES notation for 2-chloro-N-cyclopropylacetamide?
The canonical SMILES for 2-chloro-N-cyclopropylacetamide is O=C(CCl)NC1CC1.
What is the InChIKey of 2-chloro-N-cyclopropylacetamide?
The InChIKey is ZPWIVSGEQGESFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNO/c6-3-5(8)7-4-1-2-4/h4H,1-3H2,(H,7,8).
What are the key properties of 2-chloro-N-cyclopropylacetamide?
2-chloro-N-cyclopropylacetamide has a molecular weight of 133.58 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropylacetamide is sourced from PubChem (CID 735780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).