N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide

C19H21ClN2O2 — CID 18156311

IUPACN-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21ClN2O2/c20-17-8-4-5-9-18(17)24-14-19(23)21-16-10-11-22(13-16)12-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,23)
InChIKeyMCXCFIVBNMVFNJ-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.11
Rot. Bonds6

About N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide

N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide (PubChem CID 18156311) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide
PubChem CID18156311
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21ClN2O2/c20-17-8-4-5-9-18(17)24-14-19(23)21-16-10-11-22(13-16)12-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,23)
InChIKeyMCXCFIVBNMVFNJ-UHFFFAOYSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide
CID 41095172
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306
2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide
CID 24598910
2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
CID 113239292
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46700417
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenoxy)acetamide
CID 8590108
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 55847982
N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 29291844

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide (CID 18156311) is N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide is O=C(COc1ccccc1Cl)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide?
The InChIKey is MCXCFIVBNMVFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-17-8-4-5-9-18(17)24-14-19(23)21-16-10-11-22(13-16)12-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,23).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide?
N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide has a molecular weight of 344.84 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 18156311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).