3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide

C8H13ClN2O2 — CID 43568420

IUPAC3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
SMILESO=C(CCCl)NCC(=O)NC1CC1
InChIInChI=1S/C8H13ClN2O2/c9-4-3-7(12)10-5-8(13)11-6-1-2-6/h6H,1-5H2,(H,10,12)(H,11,13)
InChIKeyBTQLIPLZDYKBEP-UHFFFAOYSA-N
MW204.66 g/mol
LogP0.01
Rot. Bonds5

About 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide

3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide (PubChem CID 43568420) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
PubChem CID43568420
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
SMILESO=C(CCCl)NCC(=O)NC1CC1
InChIInChI=1S/C8H13ClN2O2/c9-4-3-7(12)10-5-8(13)11-6-1-2-6/h6H,1-5H2,(H,10,12)(H,11,13)
InChIKeyBTQLIPLZDYKBEP-UHFFFAOYSA-N
XLogP0.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide (CID 43568420) is 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide is O=C(CCCl)NCC(=O)NC1CC1.
What is the InChIKey of 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
The InChIKey is BTQLIPLZDYKBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c9-4-3-7(12)10-5-8(13)11-6-1-2-6/h6H,1-5H2,(H,10,12)(H,11,13).
What are the key properties of 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide has a molecular weight of 204.66 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 43568420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).