4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide

C15H21FN2O — CID 112702718

IUPAC4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCc1cc(F)ccc1C(=O)NC(C)CN1CCCC1
InChIInChI=1S/C15H21FN2O/c1-11-9-13(16)5-6-14(11)15(19)17-12(2)10-18-7-3-4-8-18/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeySLBORUPGWBGFGM-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.35
Rot. Bonds4

About 4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide

4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide (PubChem CID 112702718) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
PubChem CID112702718
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCc1cc(F)ccc1C(=O)NC(C)CN1CCCC1
InChIInChI=1S/C15H21FN2O/c1-11-9-13(16)5-6-14(11)15(19)17-12(2)10-18-7-3-4-8-18/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeySLBORUPGWBGFGM-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 115745779
4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435
2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
CID 107025186
2-hydroxy-3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217194
2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
CID 107025381
5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide
CID 60567024
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61471794
6-methyl-4-oxo-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyridine-3-carboxamide
CID 103717573
2-hydrazinyl-5-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 62511679
5-chloro-2-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217192
4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851476
5-amino-2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 62815269

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide (CID 112702718) is 4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide is Cc1cc(F)ccc1C(=O)NC(C)CN1CCCC1.
What is the InChIKey of 4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The InChIKey is SLBORUPGWBGFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11-9-13(16)5-6-14(11)15(19)17-12(2)10-18-7-3-4-8-18/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of 4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide has a molecular weight of 264.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 112702718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).