2-(5-fluoro-2-methylphenyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylacetamide

C17H23FN2O2 — CID 95194175

IUPAC2-(5-fluoro-2-methylphenyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylacetamide
SMILESCc1ccc(F)cc1CC(=O)N(C[C@@H]1CCC(=O)N1)C(C)C
InChIInChI=1S/C17H23FN2O2/c1-11(2)20(10-15-6-7-16(21)19-15)17(22)9-13-8-14(18)5-4-12(13)3/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyRTTQEAWSUPLZBN-HNNXBMFYSA-N
MW306.38 g/mol
LogP2.19
Rot. Bonds5

About 2-(5-fluoro-2-methylphenyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylacetamide

2-(5-fluoro-2-methylphenyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylacetamide (PubChem CID 95194175) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylacetamide
PubChem CID95194175
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name2-(5-fluoro-2-methylphenyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylacetamide
SMILESCc1ccc(F)cc1CC(=O)N(C[C@@H]1CCC(=O)N1)C(C)C
InChIInChI=1S/C17H23FN2O2/c1-11(2)20(10-15-6-7-16(21)19-15)17(22)9-13-8-14(18)5-4-12(13)3/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyRTTQEAWSUPLZBN-HNNXBMFYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626682
5-[(2,5-difluorophenyl)methyl]pyrrolidin-2-one
CID 104687085
4-methoxy-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 164635891
N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132985311
5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one
CID 104687134
1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376737
N-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide
CID 124757415
5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 104687017
5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726591
3-[[2-(2,5-difluorophenyl)acetyl]-propan-2-ylamino]propanoic acid
CID 119207310
2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106628910
2-[(5-fluoro-2-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 115970192

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylacetamide (CID 95194175) is 2-(5-fluoro-2-methylphenyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylacetamide is Cc1ccc(F)cc1CC(=O)N(C[C@@H]1CCC(=O)N1)C(C)C.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylacetamide?
The InChIKey is RTTQEAWSUPLZBN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-11(2)20(10-15-6-7-16(21)19-15)17(22)9-13-8-14(18)5-4-12(13)3/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,19,21)/t15-/m0/s1.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylacetamide?
2-(5-fluoro-2-methylphenyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylacetamide has a molecular weight of 306.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 95194175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).