3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide

C16H17FN2O2 — CID 107714808

IUPAC3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide
SMILESCc1c(NC(C)c2ccc(O)cc2F)cccc1C(N)=O
InChIInChI=1S/C16H17FN2O2/c1-9-12(16(18)21)4-3-5-15(9)19-10(2)13-7-6-11(20)8-14(13)17/h3-8,10,19-20H,1-2H3,(H2,18,21)
InChIKeySHYGAFCBMBJKHY-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.11
Rot. Bonds4

About 3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide

3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide (PubChem CID 107714808) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide
PubChem CID107714808
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide
SMILESCc1c(NC(C)c2ccc(O)cc2F)cccc1C(N)=O
InChIInChI=1S/C16H17FN2O2/c1-9-12(16(18)21)4-3-5-15(9)19-10(2)13-7-6-11(20)8-14(13)17/h3-8,10,19-20H,1-2H3,(H2,18,21)
InChIKeySHYGAFCBMBJKHY-UHFFFAOYSA-N
XLogP3.11
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol
CID 107714598
3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide
CID 60781874
2-methyl-3-(propan-2-ylamino)benzamide
CID 43694179
3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol
CID 107715105
3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol
CID 107714882
2,4-difluoro-5-[1-(3-hydroxyphenyl)ethylamino]benzamide
CID 43673811
4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol
CID 107714478
3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide
CID 104652440
2,4-difluoro-5-[1-(4-hydroxyphenyl)ethylamino]benzamide
CID 43673790
3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide
CID 43701132
3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzoic acid
CID 60782030
3-[(3-hydroxyphenyl)methylamino]-2-methylbenzamide
CID 43694119

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide?
The IUPAC name of 3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide (CID 107714808) is 3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide.
What is the SMILES notation for 3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide?
The canonical SMILES for 3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide is Cc1c(NC(C)c2ccc(O)cc2F)cccc1C(N)=O.
What is the InChIKey of 3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide?
The InChIKey is SHYGAFCBMBJKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-9-12(16(18)21)4-3-5-15(9)19-10(2)13-7-6-11(20)8-14(13)17/h3-8,10,19-20H,1-2H3,(H2,18,21).
What are the key properties of 3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide?
3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide has a molecular weight of 288.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide is sourced from PubChem (CID 107714808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).