4-(3,4-dimethylphenyl)-2-fluoro-N-(2-methylpiperidin-4-yl)benzamide

C21H25FN2O — CID 120599784

IUPAC4-(3,4-dimethylphenyl)-2-fluoro-N-(2-methylpiperidin-4-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)NC3CCNC(C)C3)c(F)c2)cc1C
InChIInChI=1S/C21H25FN2O/c1-13-4-5-16(10-14(13)2)17-6-7-19(20(22)12-17)21(25)24-18-8-9-23-15(3)11-18/h4-7,10,12,15,18,23H,8-9,11H2,1-3H3,(H,24,25)
InChIKeyJJUCPYYWBKBYCI-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.98
Rot. Bonds3

About 4-(3,4-dimethylphenyl)-2-fluoro-N-(2-methylpiperidin-4-yl)benzamide

4-(3,4-dimethylphenyl)-2-fluoro-N-(2-methylpiperidin-4-yl)benzamide (PubChem CID 120599784) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-2-fluoro-N-(2-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-2-fluoro-N-(2-methylpiperidin-4-yl)benzamide
PubChem CID120599784
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name4-(3,4-dimethylphenyl)-2-fluoro-N-(2-methylpiperidin-4-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)NC3CCNC(C)C3)c(F)c2)cc1C
InChIInChI=1S/C21H25FN2O/c1-13-4-5-16(10-14(13)2)17-6-7-19(20(22)12-17)21(25)24-18-8-9-23-15(3)11-18/h4-7,10,12,15,18,23H,8-9,11H2,1-3H3,(H,24,25)
InChIKeyJJUCPYYWBKBYCI-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide
CID 120601621
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-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995466
2-(3,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995354
4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 107990993
2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 106995199
2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide
CID 120599004
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride
CID 120600731
2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide
CID 106995122
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-2-fluoro-N-(2-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-2-fluoro-N-(2-methylpiperidin-4-yl)benzamide (CID 120599784) is 4-(3,4-dimethylphenyl)-2-fluoro-N-(2-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-2-fluoro-N-(2-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-2-fluoro-N-(2-methylpiperidin-4-yl)benzamide is Cc1ccc(-c2ccc(C(=O)NC3CCNC(C)C3)c(F)c2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-2-fluoro-N-(2-methylpiperidin-4-yl)benzamide?
The InChIKey is JJUCPYYWBKBYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-13-4-5-16(10-14(13)2)17-6-7-19(20(22)12-17)21(25)24-18-8-9-23-15(3)11-18/h4-7,10,12,15,18,23H,8-9,11H2,1-3H3,(H,24,25).
What are the key properties of 4-(3,4-dimethylphenyl)-2-fluoro-N-(2-methylpiperidin-4-yl)benzamide?
4-(3,4-dimethylphenyl)-2-fluoro-N-(2-methylpiperidin-4-yl)benzamide has a molecular weight of 340.44 g/mol, XLogP of 3.98, 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-(2-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 120599784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).