N-[2-(4-fluorophenyl)ethyl]-3,4-dimethoxybenzamide

C17H18FNO3 — CID 2877899

IUPACN-[2-(4-fluorophenyl)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H18FNO3/c1-21-15-8-5-13(11-16(15)22-2)17(20)19-10-9-12-3-6-14(18)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyLYKGRDHQDYCMRL-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.82
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-3,4-dimethoxybenzamide

N-[2-(4-fluorophenyl)ethyl]-3,4-dimethoxybenzamide (PubChem CID 2877899) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3,4-dimethoxybenzamide
PubChem CID2877899
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H18FNO3/c1-21-15-8-5-13(11-16(15)22-2)17(20)19-10-9-12-3-6-14(18)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyLYKGRDHQDYCMRL-UHFFFAOYSA-N
XLogP2.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3,4-dimethoxybenzamide (CID 2877899) is N-[2-(4-fluorophenyl)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCc2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is LYKGRDHQDYCMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-21-15-8-5-13(11-16(15)22-2)17(20)19-10-9-12-3-6-14(18)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3,4-dimethoxybenzamide?
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 303.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 2877899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).