2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide

C15H21FN2O — CID 81479636

IUPAC2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide
SMILESCc1cccc(C(=O)NCCC2CCNCC2)c1F
InChIInChI=1S/C15H21FN2O/c1-11-3-2-4-13(14(11)16)15(19)18-10-7-12-5-8-17-9-6-12/h2-4,12,17H,5-10H2,1H3,(H,18,19)
InChIKeyKAHQJGGQFDKWCL-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.25
Rot. Bonds4

About 2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide

2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide (PubChem CID 81479636) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide
PubChem CID81479636
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide
SMILESCc1cccc(C(=O)NCCC2CCNCC2)c1F
InChIInChI=1S/C15H21FN2O/c1-11-3-2-4-13(14(11)16)15(19)18-10-7-12-5-8-17-9-6-12/h2-4,12,17H,5-10H2,1H3,(H,18,19)
InChIKeyKAHQJGGQFDKWCL-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(2-piperidin-4-ylethyl)benzamide
CID 54943614
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534818
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119538084
2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide
CID 54943798
N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
CID 103708603
N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885002
N-(2-piperidin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60902424
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide
CID 103855320
N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide
CID 81477193
N-ethyl-2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81477812

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide (CID 81479636) is 2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide is Cc1cccc(C(=O)NCCC2CCNCC2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide?
The InChIKey is KAHQJGGQFDKWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11-3-2-4-13(14(11)16)15(19)18-10-7-12-5-8-17-9-6-12/h2-4,12,17H,5-10H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide?
2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide has a molecular weight of 264.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide is sourced from PubChem (CID 81479636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).