5-fluoro-3-N-[2-(4-methoxynaphthalen-1-yl)ethyl]benzene-1,3-dicarboxamide

C21H19FN2O3 — CID 166367826

IUPAC5-fluoro-3-N-[2-(4-methoxynaphthalen-1-yl)ethyl]benzene-1,3-dicarboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(F)cc(C(N)=O)c2)c2ccccc12
InChIInChI=1S/C21H19FN2O3/c1-27-19-7-6-13(17-4-2-3-5-18(17)19)8-9-24-21(26)15-10-14(20(23)25)11-16(22)12-15/h2-7,10-12H,8-9H2,1H3,(H2,23,25)(H,24,26)
InChIKeyKTFYDXJWYOMCBY-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.06
Rot. Bonds6

About 5-fluoro-3-N-[2-(4-methoxynaphthalen-1-yl)ethyl]benzene-1,3-dicarboxamide

5-fluoro-3-N-[2-(4-methoxynaphthalen-1-yl)ethyl]benzene-1,3-dicarboxamide (PubChem CID 166367826) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 5-fluoro-3-N-[2-(4-methoxynaphthalen-1-yl)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-fluoro-3-N-[2-(4-methoxynaphthalen-1-yl)ethyl]benzene-1,3-dicarboxamide
PubChem CID166367826
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name5-fluoro-3-N-[2-(4-methoxynaphthalen-1-yl)ethyl]benzene-1,3-dicarboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(F)cc(C(N)=O)c2)c2ccccc12
InChIInChI=1S/C21H19FN2O3/c1-27-19-7-6-13(17-4-2-3-5-18(17)19)8-9-24-21(26)15-10-14(20(23)25)11-16(22)12-15/h2-7,10-12H,8-9H2,1H3,(H2,23,25)(H,24,26)
InChIKeyKTFYDXJWYOMCBY-UHFFFAOYSA-N
XLogP3.06
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxynaphthalen-1-yl)ethyl]butanamide
CID 163994355
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
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N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide
CID 9247147
N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110605237
5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide
CID 61092730
3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide
CID 113096429
4-(2-amino-2-oxoethoxy)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methoxybenzamide
CID 119159659
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110795185
3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109054096
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 51310672
3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 110795180
2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide
CID 68506489

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-N-[2-(4-methoxynaphthalen-1-yl)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 5-fluoro-3-N-[2-(4-methoxynaphthalen-1-yl)ethyl]benzene-1,3-dicarboxamide (CID 166367826) is 5-fluoro-3-N-[2-(4-methoxynaphthalen-1-yl)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-fluoro-3-N-[2-(4-methoxynaphthalen-1-yl)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-fluoro-3-N-[2-(4-methoxynaphthalen-1-yl)ethyl]benzene-1,3-dicarboxamide is COc1ccc(CCNC(=O)c2cc(F)cc(C(N)=O)c2)c2ccccc12.
What is the InChIKey of 5-fluoro-3-N-[2-(4-methoxynaphthalen-1-yl)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is KTFYDXJWYOMCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-27-19-7-6-13(17-4-2-3-5-18(17)19)8-9-24-21(26)15-10-14(20(23)25)11-16(22)12-15/h2-7,10-12H,8-9H2,1H3,(H2,23,25)(H,24,26).
What are the key properties of 5-fluoro-3-N-[2-(4-methoxynaphthalen-1-yl)ethyl]benzene-1,3-dicarboxamide?
5-fluoro-3-N-[2-(4-methoxynaphthalen-1-yl)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 366.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-N-[2-(4-methoxynaphthalen-1-yl)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 166367826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).