3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide

C16H17FN2O2 — CID 110761103

IUPAC3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)CCc2ccncc2)cc1F
InChIInChI=1S/C16H17FN2O2/c1-19(10-7-12-5-8-18-9-6-12)16(20)13-3-4-15(21-2)14(17)11-13/h3-6,8-9,11H,7,10H2,1-2H3
InChIKeyQANXCGXDYZFPFT-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.54
Rot. Bonds5

About 3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide

3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 110761103) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID110761103
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)CCc2ccncc2)cc1F
InChIInChI=1S/C16H17FN2O2/c1-19(10-7-12-5-8-18-9-6-12)16(20)13-3-4-15(21-2)14(17)11-13/h3-6,8-9,11H,7,10H2,1-2H3
InChIKeyQANXCGXDYZFPFT-UHFFFAOYSA-N
XLogP2.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619
3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 39372172
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 86978948
4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761596
3,4-dimethoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 99274260
4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 77093047
6-(2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109159231
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 60913362
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692316
N-methyl-N-(2-pyridin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602562

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide (CID 110761103) is 3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide is COc1ccc(C(=O)N(C)CCc2ccncc2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is QANXCGXDYZFPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-19(10-7-12-5-8-18-9-6-12)16(20)13-3-4-15(21-2)14(17)11-13/h3-6,8-9,11H,7,10H2,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 288.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 110761103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).