2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide

C20H23FN2O — CID 120601621

IUPAC2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)NC3CCNC(C)C3)c(F)c2)cc1
InChIInChI=1S/C20H23FN2O/c1-13-3-5-15(6-4-13)16-7-8-18(19(21)12-16)20(24)23-17-9-10-22-14(2)11-17/h3-8,12,14,17,22H,9-11H2,1-2H3,(H,23,24)
InChIKeySOISWKRQBYJPJD-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.67
Rot. Bonds3

About 2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide

2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide (PubChem CID 120601621) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide
PubChem CID120601621
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)NC3CCNC(C)C3)c(F)c2)cc1
InChIInChI=1S/C20H23FN2O/c1-13-3-5-15(6-4-13)16-7-8-18(19(21)12-16)20(24)23-17-9-10-22-14(2)11-17/h3-8,12,14,17,22H,9-11H2,1-2H3,(H,23,24)
InChIKeySOISWKRQBYJPJD-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dimethylphenyl)-2-fluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 120599784
2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995466
4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230033
4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide
CID 119388030
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 106995199
2-(methanesulfonamido)-5-methyl-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601210
2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide
CID 120599004
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride
CID 119456066
4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 107990993
2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride
CID 120600731

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide (CID 120601621) is 2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide is Cc1ccc(-c2ccc(C(=O)NC3CCNC(C)C3)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide?
The InChIKey is SOISWKRQBYJPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-13-3-5-15(6-4-13)16-7-8-18(19(21)12-16)20(24)23-17-9-10-22-14(2)11-17/h3-8,12,14,17,22H,9-11H2,1-2H3,(H,23,24).
What are the key properties of 2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide?
2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide has a molecular weight of 326.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 120601621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).