N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide

C21H19FN2O — CID 92500240

IUPACN-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide
SMILESCc1ccc([C@@H](NC(=O)c2ccccc2F)c2cccnc2)cc1C
InChIInChI=1S/C21H19FN2O/c1-14-9-10-16(12-15(14)2)20(17-6-5-11-23-13-17)24-21(25)18-7-3-4-8-19(18)22/h3-13,20H,1-2H3,(H,24,25)/t20-/m1/s1
InChIKeyMDQBVIVVSLASDZ-HXUWFJFHSA-N
MW334.39 g/mol
LogP4.36
Rot. Bonds4

About N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide

N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide (PubChem CID 92500240) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide
PubChem CID92500240
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC NameN-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide
SMILESCc1ccc([C@@H](NC(=O)c2ccccc2F)c2cccnc2)cc1C
InChIInChI=1S/C21H19FN2O/c1-14-9-10-16(12-15(14)2)20(17-6-5-11-23-13-17)24-21(25)18-7-3-4-8-19(18)22/h3-13,20H,1-2H3,(H,24,25)/t20-/m1/s1
InChIKeyMDQBVIVVSLASDZ-HXUWFJFHSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500204
N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 43010004
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide
CID 92500236
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide
CID 20897042
2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide
CID 20897057
N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500223
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide
CID 26177693
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide
CID 131900152
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 79778156
4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide
CID 95740893
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 131892139

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide?
The IUPAC name of N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide (CID 92500240) is N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide?
The canonical SMILES for N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide is Cc1ccc([C@@H](NC(=O)c2ccccc2F)c2cccnc2)cc1C.
What is the InChIKey of N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide?
The InChIKey is MDQBVIVVSLASDZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H19FN2O/c1-14-9-10-16(12-15(14)2)20(17-6-5-11-23-13-17)24-21(25)18-7-3-4-8-19(18)22/h3-13,20H,1-2H3,(H,24,25)/t20-/m1/s1.
What are the key properties of N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide?
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide has a molecular weight of 334.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide is sourced from PubChem (CID 92500240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).