4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide

C15H15FN2O — CID 63212311

IUPAC4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1cc(C(=O)N(C)Cc2ccccn2)ccc1F
InChIInChI=1S/C15H15FN2O/c1-11-9-12(6-7-14(11)16)15(19)18(2)10-13-5-3-4-8-17-13/h3-9H,10H2,1-2H3
InChIKeyDECPYWYDFSPEIL-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.80
Rot. Bonds3

About 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide

4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 63212311) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID63212311
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1cc(C(=O)N(C)Cc2ccccn2)ccc1F
InChIInChI=1S/C15H15FN2O/c1-11-9-12(6-7-14(11)16)15(19)18(2)10-13-5-3-4-8-17-13/h3-9H,10H2,1-2H3
InChIKeyDECPYWYDFSPEIL-UHFFFAOYSA-N
XLogP2.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(3-hydroxypropyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 122145333
4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 63213046
4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55163854
4-amino-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43564701
3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 104627774
4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 86824171
N-methyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43582173
2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 115678696
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103707127
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 55958016
4-methoxy-N-methyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 71909818

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide (CID 63212311) is 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide is Cc1cc(C(=O)N(C)Cc2ccccn2)ccc1F.
What is the InChIKey of 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is DECPYWYDFSPEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-11-9-12(6-7-14(11)16)15(19)18(2)10-13-5-3-4-8-17-13/h3-9H,10H2,1-2H3.
What are the key properties of 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide?
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 258.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 63212311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).