N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide

C17H18FNO2 — CID 9182358

IUPACN-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCCc2cccc(F)c2)ccc1C
InChIInChI=1S/C17H18FNO2/c1-12-6-7-14(11-16(12)21-2)17(20)19-9-8-13-4-3-5-15(18)10-13/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeyMINSZEQESKVJBL-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.12
Rot. Bonds5

About N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide

N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide (PubChem CID 9182358) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
PubChem CID9182358
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCCc2cccc(F)c2)ccc1C
InChIInChI=1S/C17H18FNO2/c1-12-6-7-14(11-16(12)21-2)17(20)19-9-8-13-4-3-5-15(18)10-13/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeyMINSZEQESKVJBL-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 18118772
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41365243
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 8528927
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816
N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 52570640
2-fluoro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 61293442
7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
CID 87467122
N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide
CID 60666342
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide (CID 9182358) is N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NCCc2cccc(F)c2)ccc1C.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide?
The InChIKey is MINSZEQESKVJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-6-7-14(11-16(12)21-2)17(20)19-9-8-13-4-3-5-15(18)10-13/h3-7,10-11H,8-9H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide?
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide has a molecular weight of 287.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 9182358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).