3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide

C10H19ClN2O — CID 82177257

IUPAC3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)CCCl)C1CCNC1
InChIInChI=1S/C10H19ClN2O/c1-2-7-13(10(14)3-5-11)9-4-6-12-8-9/h9,12H,2-8H2,1H3
InChIKeyKRKAFXRTSSHNCH-UHFFFAOYSA-N
MW218.73 g/mol
LogP1.22
Rot. Bonds5

About 3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide

3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 82177257) has the molecular formula C10H19ClN2O and a molecular weight of 218.73 g/mol. Its IUPAC name is 3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
PubChem CID82177257
Molecular FormulaC10H19ClN2O
Molecular Weight218.73 g/mol
Exact Mass218.12
IUPAC Name3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)CCCl)C1CCNC1
InChIInChI=1S/C10H19ClN2O/c1-2-7-13(10(14)3-5-11)9-4-6-12-8-9/h9,12H,2-8H2,1H3
InChIKeyKRKAFXRTSSHNCH-UHFFFAOYSA-N
XLogP1.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide
CID 165439782
5-methoxy-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119531804
3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530419
N'-propyl-N'-pyrrolidin-3-ylpropanediamide
CID 119533204
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
4-cyclopentyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119533250
3,4-dimethyl-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119533162
N-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806546
3-(5-methyloxolan-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119531932
N-piperidin-3-yl-N-propyldecanamide
CID 65450246
N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
CID 119532735
3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide
CID 54895477

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide (CID 82177257) is 3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide is CCCN(C(=O)CCCl)C1CCNC1.
What is the InChIKey of 3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is KRKAFXRTSSHNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O/c1-2-7-13(10(14)3-5-11)9-4-6-12-8-9/h9,12H,2-8H2,1H3.
What are the key properties of 3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide?
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 218.73 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 82177257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).