3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide

C16H17FN2O2 — CID 43767602

IUPAC3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide
SMILESCOc1ccc(C(C)Nc2cccc(C(N)=O)c2)c(F)c1
InChIInChI=1S/C16H17FN2O2/c1-10(14-7-6-13(21-2)9-15(14)17)19-12-5-3-4-11(8-12)16(18)20/h3-10,19H,1-2H3,(H2,18,20)
InChIKeyMYAMCKNOVZYFPK-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.11
Rot. Bonds5

About 3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide

3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide (PubChem CID 43767602) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide.

Molecular Properties

Compound Name3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide
PubChem CID43767602
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide
SMILESCOc1ccc(C(C)Nc2cccc(C(N)=O)c2)c(F)c1
InChIInChI=1S/C16H17FN2O2/c1-10(14-7-6-13(21-2)9-15(14)17)19-12-5-3-4-11(8-12)16(18)20/h3-10,19H,1-2H3,(H2,18,20)
InChIKeyMYAMCKNOVZYFPK-UHFFFAOYSA-N
XLogP3.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzoic acid
CID 43774339
3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43765130
3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide
CID 43767621
3-ethynyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43755503
3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide
CID 103935912
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide
CID 28650557
2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 61074846
5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol
CID 55146491
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 42907068
2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43764537
3-[(4-methoxyphenyl)carbamoylamino]benzamide
CID 572736

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide?
The IUPAC name of 3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide (CID 43767602) is 3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide.
What is the SMILES notation for 3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide?
The canonical SMILES for 3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide is COc1ccc(C(C)Nc2cccc(C(N)=O)c2)c(F)c1.
What is the InChIKey of 3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide?
The InChIKey is MYAMCKNOVZYFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10(14-7-6-13(21-2)9-15(14)17)19-12-5-3-4-11(8-12)16(18)20/h3-10,19H,1-2H3,(H2,18,20).
What are the key properties of 3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide?
3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide has a molecular weight of 288.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide is sourced from PubChem (CID 43767602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).