N-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide

C21H25FN2O2 — CID 99930241

IUPACN-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(CN(Cc2cccc(F)c2)C(=O)C[C@H]2CCNC2)cc1
InChIInChI=1S/C21H25FN2O2/c1-26-20-7-5-16(6-8-20)14-24(15-18-3-2-4-19(22)11-18)21(25)12-17-9-10-23-13-17/h2-8,11,17,23H,9-10,12-15H2,1H3/t17-/m1/s1
InChIKeyBRSMWKFJMGNOHP-QGZVFWFLSA-N
MW356.44 g/mol
LogP3.36
Rot. Bonds7

About N-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide

N-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide (PubChem CID 99930241) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
PubChem CID99930241
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(CN(Cc2cccc(F)c2)C(=O)C[C@H]2CCNC2)cc1
InChIInChI=1S/C21H25FN2O2/c1-26-20-7-5-16(6-8-20)14-24(15-18-3-2-4-19(22)11-18)21(25)12-17-9-10-23-13-17/h2-8,11,17,23H,9-10,12-15H2,1H3/t17-/m1/s1
InChIKeyBRSMWKFJMGNOHP-QGZVFWFLSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylacetamide
CID 61029723
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119715351
N,N-dibenzyl-2-piperidin-4-ylacetamide
CID 119669950
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770885
1-[(3-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17065876
N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46988817
N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-yl-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 99947871
N-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 99960024
N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
CID 177179048
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-3-ylacetamide
CID 55138241
N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 46998798

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide (CID 99930241) is N-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide is COc1ccc(CN(Cc2cccc(F)c2)C(=O)C[C@H]2CCNC2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide?
The InChIKey is BRSMWKFJMGNOHP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-26-20-7-5-16(6-8-20)14-24(15-18-3-2-4-19(22)11-18)21(25)12-17-9-10-23-13-17/h2-8,11,17,23H,9-10,12-15H2,1H3/t17-/m1/s1.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide?
N-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide has a molecular weight of 356.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 99930241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).