N-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide

C17H25FN2O — CID 166072004

IUPACN-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
SMILESCc1cccc(C(C)(C)NC(=O)C[C@@H]2CCCN2C)c1F
InChIInChI=1S/C17H25FN2O/c1-12-7-5-9-14(16(12)18)17(2,3)19-15(21)11-13-8-6-10-20(13)4/h5,7,9,13H,6,8,10-11H2,1-4H3,(H,19,21)/t13-/m0/s1
InChIKeyKQVDMECLNYDWBM-ZDUSSCGKSA-N
MW292.40 g/mol
LogP2.97
Rot. Bonds4

About N-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide

N-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide (PubChem CID 166072004) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
PubChem CID166072004
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
SMILESCc1cccc(C(C)(C)NC(=O)C[C@@H]2CCCN2C)c1F
InChIInChI=1S/C17H25FN2O/c1-12-7-5-9-14(16(12)18)17(2,3)19-15(21)11-13-8-6-10-20(13)4/h5,7,9,13H,6,8,10-11H2,1-4H3,(H,19,21)/t13-/m0/s1
InChIKeyKQVDMECLNYDWBM-ZDUSSCGKSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
CID 166072006
N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072120
N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide
CID 168742135
N-(2,6-dimethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857550
N-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide
CID 166072094
N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110865261
N-tert-butyl-2-(1-methylpiperidin-2-yl)acetamide
CID 110855384
2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81480197
N-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072170
N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
CID 166072035
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072076
3-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]benzoic acid
CID 106022154

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide?
The IUPAC name of N-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide (CID 166072004) is N-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide?
The canonical SMILES for N-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide is Cc1cccc(C(C)(C)NC(=O)C[C@@H]2CCCN2C)c1F.
What is the InChIKey of N-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide?
The InChIKey is KQVDMECLNYDWBM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12-7-5-9-14(16(12)18)17(2,3)19-15(21)11-13-8-6-10-20(13)4/h5,7,9,13H,6,8,10-11H2,1-4H3,(H,19,21)/t13-/m0/s1.
What are the key properties of N-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide?
N-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide has a molecular weight of 292.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide is sourced from PubChem (CID 166072004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).