fluoro 2-hydroxy-4-[(4-propan-2-yloxyphenyl)methylamino]benzoate

C17H18FNO4 — CID 145486742

IUPACfluoro 2-hydroxy-4-[(4-propan-2-yloxyphenyl)methylamino]benzoate
SMILESCC(C)Oc1ccc(CNc2ccc(C(=O)OF)c(O)c2)cc1
InChIInChI=1S/C17H18FNO4/c1-11(2)22-14-6-3-12(4-7-14)10-19-13-5-8-15(16(20)9-13)17(21)23-18/h3-9,11,19-20H,10H2,1-2H3
InChIKeyLQURVGSTCZVHKZ-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.83
Rot. Bonds6

About fluoro 2-hydroxy-4-[(4-propan-2-yloxyphenyl)methylamino]benzoate

fluoro 2-hydroxy-4-[(4-propan-2-yloxyphenyl)methylamino]benzoate (PubChem CID 145486742) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is fluoro 2-hydroxy-4-[(4-propan-2-yloxyphenyl)methylamino]benzoate.

Molecular Properties

Compound Namefluoro 2-hydroxy-4-[(4-propan-2-yloxyphenyl)methylamino]benzoate
PubChem CID145486742
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Namefluoro 2-hydroxy-4-[(4-propan-2-yloxyphenyl)methylamino]benzoate
SMILESCC(C)Oc1ccc(CNc2ccc(C(=O)OF)c(O)c2)cc1
InChIInChI=1S/C17H18FNO4/c1-11(2)22-14-6-3-12(4-7-14)10-19-13-5-8-15(16(20)9-13)17(21)23-18/h3-9,11,19-20H,10H2,1-2H3
InChIKeyLQURVGSTCZVHKZ-UHFFFAOYSA-N
XLogP3.83
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2-methylpropoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 39455797
3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 39360354
N-benzyl-4-propan-2-yloxyaniline
CID 28969524
2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol
CID 28969409
4-propan-2-yloxy-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63052213
3,5-dichloro-4-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 107572877
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline
CID 54802906
4-chloro-3-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 107621263
1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)ethanone
CID 765925
fluoro 4-propan-2-yloxybenzoate
CID 174701102
N-[[4-(3-methylbutoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 54799891
5-[(4-propan-2-yloxyanilino)methyl]furan-2-carboxylic acid
CID 63316777

Frequently Asked Questions

What is the IUPAC name of fluoro 2-hydroxy-4-[(4-propan-2-yloxyphenyl)methylamino]benzoate?
The IUPAC name of fluoro 2-hydroxy-4-[(4-propan-2-yloxyphenyl)methylamino]benzoate (CID 145486742) is fluoro 2-hydroxy-4-[(4-propan-2-yloxyphenyl)methylamino]benzoate.
What is the SMILES notation for fluoro 2-hydroxy-4-[(4-propan-2-yloxyphenyl)methylamino]benzoate?
The canonical SMILES for fluoro 2-hydroxy-4-[(4-propan-2-yloxyphenyl)methylamino]benzoate is CC(C)Oc1ccc(CNc2ccc(C(=O)OF)c(O)c2)cc1.
What is the InChIKey of fluoro 2-hydroxy-4-[(4-propan-2-yloxyphenyl)methylamino]benzoate?
The InChIKey is LQURVGSTCZVHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-11(2)22-14-6-3-12(4-7-14)10-19-13-5-8-15(16(20)9-13)17(21)23-18/h3-9,11,19-20H,10H2,1-2H3.
What are the key properties of fluoro 2-hydroxy-4-[(4-propan-2-yloxyphenyl)methylamino]benzoate?
fluoro 2-hydroxy-4-[(4-propan-2-yloxyphenyl)methylamino]benzoate has a molecular weight of 319.33 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-hydroxy-4-[(4-propan-2-yloxyphenyl)methylamino]benzoate is sourced from PubChem (CID 145486742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).