2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide

C15H21FN2O — CID 81480197

IUPAC2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CCCCN2C)c1F
InChIInChI=1S/C15H21FN2O/c1-11-6-5-8-13(14(11)16)15(19)17-10-12-7-3-4-9-18(12)2/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,17,19)
InChIKeyACKJHYRRKSQUQZ-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.35
Rot. Bonds3

About 2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide

2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide (PubChem CID 81480197) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
PubChem CID81480197
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CCCCN2C)c1F
InChIInChI=1S/C15H21FN2O/c1-11-6-5-8-13(14(11)16)15(19)17-10-12-7-3-4-9-18(12)2/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,17,19)
InChIKeyACKJHYRRKSQUQZ-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81110131
2-amino-3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137909
2-fluoro-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 81480578
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide
CID 81482286
2-fluoro-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitrobenzamide
CID 106027988
3-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 106021732
2-bromo-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide
CID 107027005
N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide
CID 81480761
2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112699377
3-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]benzoic acid
CID 106022154
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide (CID 81480197) is 2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide is Cc1cccc(C(=O)NCC2CCCCN2C)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
The InChIKey is ACKJHYRRKSQUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11-6-5-8-13(14(11)16)15(19)17-10-12-7-3-4-9-18(12)2/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,17,19).
What are the key properties of 2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide has a molecular weight of 264.34 g/mol, XLogP of 2.35, 3 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-[(1-methylpiperidin-2-yl)methyl]benzamide is sourced from PubChem (CID 81480197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).