N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide

C21H25FN2O2 — CID 125169754

IUPACN-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCC[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H25FN2O2/c1-26-19-9-5-8-18(22)20(19)21(25)23-12-10-17-11-13-24(15-17)14-16-6-3-2-4-7-16/h2-9,17H,10-15H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyUOBXHIKOAKNMMO-KRWDZBQOSA-N
MW356.44 g/mol
LogP3.48
Rot. Bonds7

About N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide

N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide (PubChem CID 125169754) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide
PubChem CID125169754
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCC[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H25FN2O2/c1-26-19-9-5-8-18(22)20(19)21(25)23-12-10-17-11-13-24(15-17)14-16-6-3-2-4-7-16/h2-9,17H,10-15H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyUOBXHIKOAKNMMO-KRWDZBQOSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide
CID 125165434
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
1-[2-(1-benzylpyrrolidin-3-yl)ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 118770726
1-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 125157500
N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide
CID 124758221
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide
CID 124753121
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 99937090
N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide
CID 119619869
2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99970994
N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
CID 106124687
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide
CID 14851781
2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55979355

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide (CID 125169754) is N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)NCC[C@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide?
The InChIKey is UOBXHIKOAKNMMO-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-26-19-9-5-8-18(22)20(19)21(25)23-12-10-17-11-13-24(15-17)14-16-6-3-2-4-7-16/h2-9,17H,10-15H2,1H3,(H,23,25)/t17-/m0/s1.
What are the key properties of N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide?
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide has a molecular weight of 356.44 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 125169754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).