N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide

C20H21FN2O2 — CID 40895927

IUPACN-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H21FN2O2/c1-14-3-2-4-15(9-14)10-19(24)22-12-16-11-20(25)23(13-16)18-7-5-17(21)6-8-18/h2-9,16H,10-13H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyIGCMJIRDQXPFHM-MRXNPFEDSA-N
MW340.40 g/mol
LogP2.85
Rot. Bonds5

About N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide

N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide (PubChem CID 40895927) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide
PubChem CID40895927
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H21FN2O2/c1-14-3-2-4-15(9-14)10-19(24)22-12-16-11-20(25)23(13-16)18-7-5-17(21)6-8-18/h2-9,16H,10-13H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyIGCMJIRDQXPFHM-MRXNPFEDSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40897451
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 40895899
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805226
2-(3-chlorophenyl)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 110737325
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 40895865
3-methyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 40876165
2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919044
ethyl N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 40896124
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide
CID 16918752
1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 40913151
1-(3-methylphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920185
3-(3-fluorophenyl)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 110737318

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide (CID 40895927) is N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NC[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1.
What is the InChIKey of N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is IGCMJIRDQXPFHM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-14-3-2-4-15(9-14)10-19(24)22-12-16-11-20(25)23(13-16)18-7-5-17(21)6-8-18/h2-9,16H,10-13H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide?
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 340.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 40895927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).