N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide

C18H23FN2O2 — CID 125174216

IUPACN-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)c(F)c1
InChIInChI=1S/C18H23FN2O2/c1-12-6-7-15(16(19)8-12)18(23)20-10-13-9-17(22)21(11-13)14-4-2-3-5-14/h6-8,13-14H,2-5,9-11H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyCZWBFYVZFFHGIU-CYBMUJFWSA-N
MW318.39 g/mol
LogP2.66
Rot. Bonds4

About N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide

N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide (PubChem CID 125174216) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide
PubChem CID125174216
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC NameN-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)c(F)c1
InChIInChI=1S/C18H23FN2O2/c1-12-6-7-15(16(19)8-12)18(23)20-10-13-9-17(22)21(11-13)14-4-2-3-5-14/h6-8,13-14H,2-5,9-11H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyCZWBFYVZFFHGIU-CYBMUJFWSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide 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

(S)-N-(cyclobutylmethyl)-N-(pyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
CID 44517677
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
US10414797, Example 16
CID 135370401
4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 877392
4-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzamide
CID 2810721
3-fluoro-N-(4-phenylbutan-2-yl)benzamide
CID 2914829
1-cyclopentyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16307848
N-Cyclohexyl-4-methylbenzamide
CID 228684
4-fluoro-N-(4-phenylbutan-2-yl)benzamide
CID 2914288
[4-(Pyrrolidine-1-carbonyl)phenyl]methanamine
CID 16227894
N-(3-(dimethylamino)propyl)benzamide
CID 2332594
Cyclohexylalanine derived inhibitor, 20
CID 23647721

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide (CID 125174216) is N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)c(F)c1.
What is the InChIKey of N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide?
The InChIKey is CZWBFYVZFFHGIU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-12-6-7-15(16(19)8-12)18(23)20-10-13-9-17(22)21(11-13)14-4-2-3-5-14/h6-8,13-14H,2-5,9-11H2,1H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide?
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide has a molecular weight of 318.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 125174216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).