2-(3-chlorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide

C19H27ClN2O2 — CID 57159024

IUPAC2-(3-chlorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NC1CCCCC1N1CCCC1
InChIInChI=1S/C19H27ClN2O2/c1-14(24-16-8-6-7-15(20)13-16)19(23)21-17-9-2-3-10-18(17)22-11-4-5-12-22/h6-8,13-14,17-18H,2-5,9-12H2,1H3,(H,21,23)
InChIKeyYOTDWFRWKQIWEP-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.63
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide

2-(3-chlorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide (PubChem CID 57159024) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide
PubChem CID57159024
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name2-(3-chlorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NC1CCCCC1N1CCCC1
InChIInChI=1S/C19H27ClN2O2/c1-14(24-16-8-6-7-15(20)13-16)19(23)21-17-9-2-3-10-18(17)22-11-4-5-12-22/h6-8,13-14,17-18H,2-5,9-12H2,1H3,(H,21,23)
InChIKeyYOTDWFRWKQIWEP-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chlorophenoxy)-N-(2-(diethylamino)ethyl)acetamide
CID 28554
Acetamide, 2-(4-chlorophenoxy)-N-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride
CID 3052206
((2R,4S)-4-(3-chlorophenoxy)pyrrolidin-2-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methanone
CID 46887993
2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide
CID 5070146
2-(4-chlorophenoxy)-N-(4-(2-(4-chlorophenoxy)acetamido)cyclohexyl)acetamide
CID 1011240
2-(4-chlorophenoxy)-N-cyclopentylbutanamide
CID 6473403
N-(2-chlorobenzyl)-2-(3-chlorophenoxy)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 11258291
(+/-)-trans-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl](3,4-dichlorophenoxy)acetamide monohydrochloride
CID 18603269
2-(3-Chloro-phenoxy)-N-(3-methyl-benzyl)-N-(R)-1-pyrrolidin-2-ylmethyl-propionamide
CID 44579824
N-(3-chlorobenzyl)-2-(3-chlorophenoxy)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44579840
N-(4-acetamidophenyl)-2-(3-chlorophenoxy)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44579880
2-(3-chlorophenoxy)-N-(3-chlorophenyl)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44579882

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide (CID 57159024) is 2-(3-chlorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide is CC(Oc1cccc(Cl)c1)C(=O)NC1CCCCC1N1CCCC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide?
The InChIKey is YOTDWFRWKQIWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-14(24-16-8-6-7-15(20)13-16)19(23)21-17-9-2-3-10-18(17)22-11-4-5-12-22/h6-8,13-14,17-18H,2-5,9-12H2,1H3,(H,21,23).
What are the key properties of 2-(3-chlorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide?
2-(3-chlorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide has a molecular weight of 350.89 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide is sourced from PubChem (CID 57159024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).