N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide

C16H24FN3O — CID 63264114

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
SMILESCNCC1CCN(CC(=O)NCc2ccc(F)c(C)c2)C1
InChIInChI=1S/C16H24FN3O/c1-12-7-13(3-4-15(12)17)9-19-16(21)11-20-6-5-14(10-20)8-18-2/h3-4,7,14,18H,5-6,8-11H2,1-2H3,(H,19,21)
InChIKeyDBNVTQRATPCZNJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.29
Rot. Bonds6

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

N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide (PubChem CID 63264114) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
PubChem CID63264114
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
SMILESCNCC1CCN(CC(=O)NCc2ccc(F)c(C)c2)C1
InChIInChI=1S/C16H24FN3O/c1-12-7-13(3-4-15(12)17)9-19-16(21)11-20-6-5-14(10-20)8-18-2/h3-4,7,14,18H,5-6,8-11H2,1-2H3,(H,19,21)
InChIKeyDBNVTQRATPCZNJ-UHFFFAOYSA-N
XLogP1.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55132319
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547054
N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267740
ethyl 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 32817292
N-[(3-methoxyphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921834
N-(2,5-difluorophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267293
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547586
2-(3-aminopiperidin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 61297426
2-(4-acetyl-1,4-diazepan-1-yl)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 35269920
1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 42542998
2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 122154551
N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 119922266

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide (CID 63264114) is N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide is CNCC1CCN(CC(=O)NCc2ccc(F)c(C)c2)C1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is DBNVTQRATPCZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-12-7-13(3-4-15(12)17)9-19-16(21)11-20-6-5-14(10-20)8-18-2/h3-4,7,14,18H,5-6,8-11H2,1-2H3,(H,19,21).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 293.39 g/mol, XLogP of 1.29, 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-(methylaminomethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 63264114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).