2-chloro-N-[2-(diethylamino)ethyl]propanamide

C9H19ClN2O — CID 16785220

IUPAC2-chloro-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)C(C)Cl
InChIInChI=1S/C9H19ClN2O/c1-4-12(5-2)7-6-11-9(13)8(3)10/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyROMZYESAPGNUPZ-UHFFFAOYSA-N
MW206.72 g/mol
LogP1.07
Rot. Bonds6

About 2-chloro-N-[2-(diethylamino)ethyl]propanamide

2-chloro-N-[2-(diethylamino)ethyl]propanamide (PubChem CID 16785220) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is 2-chloro-N-[2-(diethylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[2-(diethylamino)ethyl]propanamide
PubChem CID16785220
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name2-chloro-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)C(C)Cl
InChIInChI=1S/C9H19ClN2O/c1-4-12(5-2)7-6-11-9(13)8(3)10/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyROMZYESAPGNUPZ-UHFFFAOYSA-N
XLogP1.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 51.07
H-Bond Donors ≤ 51
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 2-chloro-N-[2-(diethylamino)ethyl]propanamide?
The IUPAC name of 2-chloro-N-[2-(diethylamino)ethyl]propanamide (CID 16785220) is 2-chloro-N-[2-(diethylamino)ethyl]propanamide.
What is the SMILES notation for 2-chloro-N-[2-(diethylamino)ethyl]propanamide?
The canonical SMILES for 2-chloro-N-[2-(diethylamino)ethyl]propanamide is CCN(CC)CCNC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-[2-(diethylamino)ethyl]propanamide?
The InChIKey is ROMZYESAPGNUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2O/c1-4-12(5-2)7-6-11-9(13)8(3)10/h8H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 2-chloro-N-[2-(diethylamino)ethyl]propanamide?
2-chloro-N-[2-(diethylamino)ethyl]propanamide has a molecular weight of 206.72 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(diethylamino)ethyl]propanamide is sourced from PubChem (CID 16785220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).