2-[[[5-fluoro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid

C21H15F2NO4 — CID 141112094

IUPAC2-[[[5-fluoro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccccc1CNC(=O)c1cc(F)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C21H15F2NO4/c22-14-5-8-16(9-6-14)28-19-10-7-15(23)11-18(19)20(25)24-12-13-3-1-2-4-17(13)21(26)27/h1-11H,12H2,(H,24,25)(H,26,27)
InChIKeyLMVZNHWEKYOJHA-UHFFFAOYSA-N
MW383.35 g/mol
LogP4.39
Rot. Bonds6

About 2-[[[5-fluoro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid

2-[[[5-fluoro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid (PubChem CID 141112094) has the molecular formula C21H15F2NO4 and a molecular weight of 383.35 g/mol. Its IUPAC name is 2-[[[5-fluoro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[[5-fluoro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid
PubChem CID141112094
Molecular FormulaC21H15F2NO4
Molecular Weight383.35 g/mol
Exact Mass383.10
IUPAC Name2-[[[5-fluoro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccccc1CNC(=O)c1cc(F)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C21H15F2NO4/c22-14-5-8-16(9-6-14)28-19-10-7-15(23)11-18(19)20(25)24-12-13-3-1-2-4-17(13)21(26)27/h1-11H,12H2,(H,24,25)(H,26,27)
InChIKeyLMVZNHWEKYOJHA-UHFFFAOYSA-N
XLogP4.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]-2-fluorobenzoic acid
CID 58905326
N-[[2-fluoro-5-(4-fluorophenoxy)-4-methylphenyl]methyl]-2-hydroxybenzamide
CID 173133157
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid
CID 103248413
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
N-[[4-[1-(2-butan-2-ylhydrazinyl)ethenyl]phenyl]methyl]-5-fluoro-2-(4-fluorophenoxy)benzamide
CID 143009923
2-[(4-fluoro-2-iodoanilino)methyl]benzoic acid
CID 103256318
4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid;methyl 4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoate
CID 162055040
N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide
CID 71822129
2-(4-fluorophenoxy)-5-methylbenzoic acid
CID 22767862
2-(4-fluorophenoxy)-5-iodobenzoic acid
CID 70332778

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-fluoro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid?
The IUPAC name of 2-[[[5-fluoro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid (CID 141112094) is 2-[[[5-fluoro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid.
What is the SMILES notation for 2-[[[5-fluoro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid?
The canonical SMILES for 2-[[[5-fluoro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid is O=C(O)c1ccccc1CNC(=O)c1cc(F)ccc1Oc1ccc(F)cc1.
What is the InChIKey of 2-[[[5-fluoro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid?
The InChIKey is LMVZNHWEKYOJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2NO4/c22-14-5-8-16(9-6-14)28-19-10-7-15(23)11-18(19)20(25)24-12-13-3-1-2-4-17(13)21(26)27/h1-11H,12H2,(H,24,25)(H,26,27).
What are the key properties of 2-[[[5-fluoro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid?
2-[[[5-fluoro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid has a molecular weight of 383.35 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-fluoro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid is sourced from PubChem (CID 141112094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).