N-(3-chlorophenyl)-2-(pyrrolidin-3-ylmethoxy)acetamide

C13H17ClN2O2 — CID 62372283

IUPACN-(3-chlorophenyl)-2-(pyrrolidin-3-ylmethoxy)acetamide
SMILESO=C(COCC1CCNC1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c14-11-2-1-3-12(6-11)16-13(17)9-18-8-10-4-5-15-7-10/h1-3,6,10,15H,4-5,7-9H2,(H,16,17)
InChIKeyLBCRPLMLVHUEBJ-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.90
Rot. Bonds5

About N-(3-chlorophenyl)-2-(pyrrolidin-3-ylmethoxy)acetamide

N-(3-chlorophenyl)-2-(pyrrolidin-3-ylmethoxy)acetamide (PubChem CID 62372283) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(pyrrolidin-3-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(pyrrolidin-3-ylmethoxy)acetamide
PubChem CID62372283
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(3-chlorophenyl)-2-(pyrrolidin-3-ylmethoxy)acetamide
SMILESO=C(COCC1CCNC1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c14-11-2-1-3-12(6-11)16-13(17)9-18-8-10-4-5-15-7-10/h1-3,6,10,15H,4-5,7-9H2,(H,16,17)
InChIKeyLBCRPLMLVHUEBJ-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-(piperidin-3-ylmethoxy)acetamide
CID 62341062
N-(3-chlorophenyl)-2-[(6,6-dimethylmorpholin-2-yl)methoxy]acetamide
CID 114775297
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
2-(3-aminopropoxy)-N-(3-chlorophenyl)acetamide
CID 62343844
N-(9H-fluoren-2-yl)-2-[[(3S)-piperidin-3-yl]methoxy]acetamide
CID 99851229
N-[3-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
CID 86321166
N-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide
CID 114796128
N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide
CID 69171945
3-[(3-chlorophenoxy)methyl]pyrrolidine
CID 56830207
pyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate
CID 79338245
[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2386731
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(pyrrolidin-3-ylmethoxy)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(pyrrolidin-3-ylmethoxy)acetamide (CID 62372283) is N-(3-chlorophenyl)-2-(pyrrolidin-3-ylmethoxy)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(pyrrolidin-3-ylmethoxy)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(pyrrolidin-3-ylmethoxy)acetamide is O=C(COCC1CCNC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(pyrrolidin-3-ylmethoxy)acetamide?
The InChIKey is LBCRPLMLVHUEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-2-1-3-12(6-11)16-13(17)9-18-8-10-4-5-15-7-10/h1-3,6,10,15H,4-5,7-9H2,(H,16,17).
What are the key properties of N-(3-chlorophenyl)-2-(pyrrolidin-3-ylmethoxy)acetamide?
N-(3-chlorophenyl)-2-(pyrrolidin-3-ylmethoxy)acetamide has a molecular weight of 268.74 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(pyrrolidin-3-ylmethoxy)acetamide is sourced from PubChem (CID 62372283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).