2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide

C13H17ClN2O2 — CID 119451437

IUPAC2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NC1CCNC1
InChIInChI=1S/C13H17ClN2O2/c1-9(13(17)16-10-6-7-15-8-10)18-12-5-3-2-4-11(12)14/h2-5,9-10,15H,6-8H2,1H3,(H,16,17)
InChIKeyKMZIVRPISMRKFF-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.59
Rot. Bonds4

About 2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide

2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide (PubChem CID 119451437) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide
PubChem CID119451437
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NC1CCNC1
InChIInChI=1S/C13H17ClN2O2/c1-9(13(17)16-10-6-7-15-8-10)18-12-5-3-2-4-11(12)14/h2-5,9-10,15H,6-8H2,1H3,(H,16,17)
InChIKeyKMZIVRPISMRKFF-UHFFFAOYSA-N
XLogP1.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119387688
(2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide
CID 94797430
2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 46581771
(2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide
CID 97252685
2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389291
(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815946
2-(2-propan-2-yloxyphenyl)-N-pyrrolidin-3-ylacetamide
CID 119450481
2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944491
2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119450905
(2S)-2-(2-chlorophenoxy)-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]propanamide
CID 95776756
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119386601
N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761291

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide (CID 119451437) is 2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide is CC(Oc1ccccc1Cl)C(=O)NC1CCNC1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide?
The InChIKey is KMZIVRPISMRKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9(13(17)16-10-6-7-15-8-10)18-12-5-3-2-4-11(12)14/h2-5,9-10,15H,6-8H2,1H3,(H,16,17).
What are the key properties of 2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide?
2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide has a molecular weight of 268.74 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119451437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).