2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide

C14H19ClN2O2 — CID 110643034

IUPAC2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NOCCN1CCCC1
InChIInChI=1S/C14H19ClN2O2/c15-13-5-3-12(4-6-13)11-14(18)16-19-10-9-17-7-1-2-8-17/h3-6H,1-2,7-11H2,(H,16,18)
InChIKeyOYMVKYLLINEIAQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.03
Rot. Bonds6

About 2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide

2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide (PubChem CID 110643034) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide
PubChem CID110643034
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NOCCN1CCCC1
InChIInChI=1S/C14H19ClN2O2/c15-13-5-3-12(4-6-13)11-14(18)16-19-10-9-17-7-1-2-8-17/h3-6H,1-2,7-11H2,(H,16,18)
InChIKeyOYMVKYLLINEIAQ-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide
CID 164935393
2-(4-chlorophenyl)-N-ethoxyacetamide
CID 25353081
N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide
CID 110688285
3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110643022
3-phenoxy-N-(2-pyrrolidin-1-ylethoxy)propanamide
CID 110643041
2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate
CID 89180853
3-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethoxy)propanamide
CID 110643090
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-4-ethylbenzene
CID 19776556
2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 138454525
N-(2-piperidin-1-ylethoxy)acetamide
CID 110642863
3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide
CID 110443247

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide (CID 110643034) is 2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide is O=C(Cc1ccc(Cl)cc1)NOCCN1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide?
The InChIKey is OYMVKYLLINEIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-13-5-3-12(4-6-13)11-14(18)16-19-10-9-17-7-1-2-8-17/h3-6H,1-2,7-11H2,(H,16,18).
What are the key properties of 2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide?
2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide has a molecular weight of 282.77 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide is sourced from PubChem (CID 110643034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).