4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide

C20H23FN2O — CID 119388030

IUPAC4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide
SMILESCc1ccc(-c2ccc(C(=O)NC3CCNCC3)c(F)c2)cc1C
InChIInChI=1S/C20H23FN2O/c1-13-3-4-15(11-14(13)2)16-5-6-18(19(21)12-16)20(24)23-17-7-9-22-10-8-17/h3-6,11-12,17,22H,7-10H2,1-2H3,(H,23,24)
InChIKeyKZIWOEAXRHNYTC-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.59
Rot. Bonds3

About 4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide

4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide (PubChem CID 119388030) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide
PubChem CID119388030
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide
SMILESCc1ccc(-c2ccc(C(=O)NC3CCNCC3)c(F)c2)cc1C
InChIInChI=1S/C20H23FN2O/c1-13-3-4-15(11-14(13)2)16-5-6-18(19(21)12-16)20(24)23-17-7-9-22-10-8-17/h3-6,11-12,17,22H,7-10H2,1-2H3,(H,23,24)
InChIKeyKZIWOEAXRHNYTC-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
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-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386244
2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide
CID 120601621
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230033
4-hydroxy-2-methyl-N-piperidin-4-ylbenzamide
CID 107671351
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462137
N-(4-aminocyclohexyl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride
CID 119475380
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide (CID 119388030) is 4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide is Cc1ccc(-c2ccc(C(=O)NC3CCNCC3)c(F)c2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide?
The InChIKey is KZIWOEAXRHNYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-13-3-4-15(11-14(13)2)16-5-6-18(19(21)12-16)20(24)23-17-7-9-22-10-8-17/h3-6,11-12,17,22H,7-10H2,1-2H3,(H,23,24).
What are the key properties of 4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide?
4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide has a molecular weight of 326.42 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 119388030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).