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

C15H15FN2O — CID 112702339

IUPAC4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1cc(F)ccc1C(=O)N(C)Cc1ccncc1
InChIInChI=1S/C15H15FN2O/c1-11-9-13(16)3-4-14(11)15(19)18(2)10-12-5-7-17-8-6-12/h3-9H,10H2,1-2H3
InChIKeyBBMXFIJMIICJAF-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.80
Rot. Bonds3

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

4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 112702339) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID112702339
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1cc(F)ccc1C(=O)N(C)Cc1ccncc1
InChIInChI=1S/C15H15FN2O/c1-11-9-13(16)3-4-14(11)15(19)18(2)10-12-5-7-17-8-6-12/h3-9H,10H2,1-2H3
InChIKeyBBMXFIJMIICJAF-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-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
4-fluoro-N,2-dimethyl-N-pyridin-4-ylbenzamide
CID 106934866
5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 53016447
4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide
CID 115745848
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide
CID 115746037
2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 63109740
2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 103853024
4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide
CID 112702416
4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 63185451
2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62662222

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide (CID 112702339) is 4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide is Cc1cc(F)ccc1C(=O)N(C)Cc1ccncc1.
What is the InChIKey of 4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is BBMXFIJMIICJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-11-9-13(16)3-4-14(11)15(19)18(2)10-12-5-7-17-8-6-12/h3-9H,10H2,1-2H3.
What are the key properties of 4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide?
4-fluoro-N,2-dimethyl-N-(pyridin-4-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,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 112702339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).