2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide

C16H23FN2O — CID 80718351

IUPAC2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide
SMILESCc1cccc(C(=O)NCC(C)N2CCCCC2)c1F
InChIInChI=1S/C16H23FN2O/c1-12-7-6-8-14(15(12)17)16(20)18-11-13(2)19-9-4-3-5-10-19/h6-8,13H,3-5,9-11H2,1-2H3,(H,18,20)
InChIKeyDQVPSPWVJHAZNY-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.74
Rot. Bonds4

About 2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide

2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide (PubChem CID 80718351) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide
PubChem CID80718351
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide
SMILESCc1cccc(C(=O)NCC(C)N2CCCCC2)c1F
InChIInChI=1S/C16H23FN2O/c1-12-7-6-8-14(15(12)17)16(20)18-11-13(2)19-9-4-3-5-10-19/h6-8,13H,3-5,9-11H2,1-2H3,(H,18,20)
InChIKeyDQVPSPWVJHAZNY-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 78918066
2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 114344224
3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 79035923
2-fluoro-6-hydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 104916991
2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112699377
2-amino-3-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105387034
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650
5-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031099
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126
2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 94671216
4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031098
N-(2-pyrrolidin-1-ylpropyl)-1H-indole-7-carboxamide
CID 79035908

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide (CID 80718351) is 2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide is Cc1cccc(C(=O)NCC(C)N2CCCCC2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide?
The InChIKey is DQVPSPWVJHAZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12-7-6-8-14(15(12)17)16(20)18-11-13(2)19-9-4-3-5-10-19/h6-8,13H,3-5,9-11H2,1-2H3,(H,18,20).
What are the key properties of 2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide?
2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide has a molecular weight of 278.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 80718351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).