(2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide

C16H21ClN2O2 — CID 94797430

IUPAC(2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide
SMILESC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCN(C2CC2)C1
InChIInChI=1S/C16H21ClN2O2/c1-11(21-15-5-3-2-4-14(15)17)16(20)18-12-8-9-19(10-12)13-6-7-13/h2-5,11-13H,6-10H2,1H3,(H,18,20)/t11-,12-/m1/s1
InChIKeyZAIWSMAXXPPCDX-VXGBXAGGSA-N
MW308.81 g/mol
LogP2.46
Rot. Bonds5

About (2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide

(2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide (PubChem CID 94797430) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide
PubChem CID94797430
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide
SMILESC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCN(C2CC2)C1
InChIInChI=1S/C16H21ClN2O2/c1-11(21-15-5-3-2-4-14(15)17)16(20)18-12-8-9-19(10-12)13-6-7-13/h2-5,11-13H,6-10H2,1H3,(H,18,20)/t11-,12-/m1/s1
InChIKeyZAIWSMAXXPPCDX-VXGBXAGGSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119451437
2-(2-chlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119387688
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
(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815946
(3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
CID 129366909
(2S)-2-(2-chlorophenoxy)-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]propanamide
CID 95776756
N-(1-cyclopropylpyrrolidin-3-yl)-3-(2,3-dichlorophenyl)propanamide
CID 47076999
(2R)-2-(2,3-dichlorophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide
CID 52534478
(2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 27232779
(2R)-2-(2-chlorophenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 99702543
(2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832796

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide (CID 94797430) is (2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide is C[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCN(C2CC2)C1.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide?
The InChIKey is ZAIWSMAXXPPCDX-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-11(21-15-5-3-2-4-14(15)17)16(20)18-12-8-9-19(10-12)13-6-7-13/h2-5,11-13H,6-10H2,1H3,(H,18,20)/t11-,12-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide?
(2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide has a molecular weight of 308.81 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 94797430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).