N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide

C21H24FN3O2 — CID 37219418

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide
SMILESCc1cc(CNC(=O)CNc2ccc(N3CCCC3=O)c(C)c2)ccc1F
InChIInChI=1S/C21H24FN3O2/c1-14-10-16(5-7-18(14)22)12-24-20(26)13-23-17-6-8-19(15(2)11-17)25-9-3-4-21(25)27/h5-8,10-11,23H,3-4,9,12-13H2,1-2H3,(H,24,26)
InChIKeyVDFVSTSFGUMNBA-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.30
Rot. Bonds6

About N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide

N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide (PubChem CID 37219418) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide
PubChem CID37219418
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide
SMILESCc1cc(CNC(=O)CNc2ccc(N3CCCC3=O)c(C)c2)ccc1F
InChIInChI=1S/C21H24FN3O2/c1-14-10-16(5-7-18(14)22)12-24-20(26)13-23-17-6-8-19(15(2)11-17)25-9-3-4-21(25)27/h5-8,10-11,23H,3-4,9,12-13H2,1-2H3,(H,24,26)
InChIKeyVDFVSTSFGUMNBA-UHFFFAOYSA-N
XLogP3.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 47032927
1-[(4-fluorophenyl)methyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38203655
1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one
CID 63090031
2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 29450858
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718577
N-[(4-methoxyphenyl)methyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584394
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 86940012
2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 67117839
2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide
CID 18155158
2-(3-chlorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 100517923
3-(4-ethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 24601082
2,6-difluoro-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687375

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide (CID 37219418) is N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide is Cc1cc(CNC(=O)CNc2ccc(N3CCCC3=O)c(C)c2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The InChIKey is VDFVSTSFGUMNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-14-10-16(5-7-18(14)22)12-24-20(26)13-23-17-6-8-19(15(2)11-17)25-9-3-4-21(25)27/h5-8,10-11,23H,3-4,9,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide?
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide has a molecular weight of 369.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide is sourced from PubChem (CID 37219418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).