4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide

C16H17FN2O — CID 115745848

IUPAC4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide
SMILESCc1cc(F)ccc1C(=O)N(C)C(C)c1ccncc1
InChIInChI=1S/C16H17FN2O/c1-11-10-14(17)4-5-15(11)16(20)19(3)12(2)13-6-8-18-9-7-13/h4-10,12H,1-3H3
InChIKeyVBWHERHQAMUJLW-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.36
Rot. Bonds3

About 4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide

4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide (PubChem CID 115745848) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide
PubChem CID115745848
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide
SMILESCc1cc(F)ccc1C(=O)N(C)C(C)c1ccncc1
InChIInChI=1S/C16H17FN2O/c1-11-10-14(17)4-5-15(11)16(20)19(3)12(2)13-6-8-18-9-7-13/h4-10,12H,1-3H3
InChIKeyVBWHERHQAMUJLW-UHFFFAOYSA-N
XLogP3.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 86858306
4-fluoro-N,2-dimethyl-N-pyridin-4-ylbenzamide
CID 106934866
4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 112702339
4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 81225414
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide
CID 112702416
2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 114917924
3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 61116655
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 60571190
2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 61053761
N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645773
2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870193

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide?
The IUPAC name of 4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide (CID 115745848) is 4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide is Cc1cc(F)ccc1C(=O)N(C)C(C)c1ccncc1.
What is the InChIKey of 4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide?
The InChIKey is VBWHERHQAMUJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-10-14(17)4-5-15(11)16(20)19(3)12(2)13-6-8-18-9-7-13/h4-10,12H,1-3H3.
What are the key properties of 4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide?
4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide has a molecular weight of 272.32 g/mol, XLogP of 3.36, 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-(1-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 115745848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).