2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide

C21H25FN2O — CID 112504562

IUPAC2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
SMILESCC1CCN(C(CNC(=O)c2ccccc2F)c2ccccc2)CC1
InChIInChI=1S/C21H25FN2O/c1-16-11-13-24(14-12-16)20(17-7-3-2-4-8-17)15-23-21(25)18-9-5-6-10-19(18)22/h2-10,16,20H,11-15H2,1H3,(H,23,25)
InChIKeyDORJOHKHCBFMHI-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.03
Rot. Bonds5

About 2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide

2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide (PubChem CID 112504562) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
PubChem CID112504562
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
SMILESCC1CCN(C(CNC(=O)c2ccccc2F)c2ccccc2)CC1
InChIInChI=1S/C21H25FN2O/c1-16-11-13-24(14-12-16)20(17-7-3-2-4-8-17)15-23-21(25)18-9-5-6-10-19(18)22/h2-10,16,20H,11-15H2,1H3,(H,23,25)
InChIKeyDORJOHKHCBFMHI-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 26834847
2-fluoro-N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 112504610
2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951546
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951537
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide
CID 7496319
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460592
4-chloro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-nitrobenzamide
CID 60551622
3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504560
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-fluorobenzamide
CID 7497127
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide
CID 60552065
4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 60551422

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide (CID 112504562) is 2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide is CC1CCN(C(CNC(=O)c2ccccc2F)c2ccccc2)CC1.
What is the InChIKey of 2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide?
The InChIKey is DORJOHKHCBFMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-16-11-13-24(14-12-16)20(17-7-3-2-4-8-17)15-23-21(25)18-9-5-6-10-19(18)22/h2-10,16,20H,11-15H2,1H3,(H,23,25).
What are the key properties of 2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide?
2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide has a molecular weight of 340.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide is sourced from PubChem (CID 112504562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).