2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid

C17H14F3NO4 — CID 45384591

IUPAC2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid
SMILESCOc1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C17H14F3NO4/c1-25-14-7-6-10(8-12(14)16(23)24)9-21-15(22)11-4-2-3-5-13(11)17(18,19)20/h2-8H,9H2,1H3,(H,21,22)(H,23,24)
InChIKeyQMPACHAUJYPOLO-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.34
Rot. Bonds5

About 2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid

2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid (PubChem CID 45384591) has the molecular formula C17H14F3NO4 and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid
PubChem CID45384591
Molecular FormulaC17H14F3NO4
Molecular Weight353.30 g/mol
Exact Mass353.09
IUPAC Name2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid
SMILESCOc1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C17H14F3NO4/c1-25-14-7-6-10(8-12(14)16(23)24)9-21-15(22)11-4-2-3-5-13(11)17(18,19)20/h2-8H,9H2,1H3,(H,21,22)(H,23,24)
InChIKeyQMPACHAUJYPOLO-UHFFFAOYSA-N
XLogP3.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2,6-difluorobenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384671
5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384674
5-[[(2-chloro-4,5-difluorobenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384785
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
CID 77230394
2-[(4-carboxy-3-fluorophenyl)methylcarbamoyl]-6-methoxybenzoic acid
CID 122575722
4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid
CID 162755933
N-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)benzamide
CID 7778212
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 33284711
methyl 5-[[[2-(difluoromethylsulfanyl)benzoyl]amino]methyl]-2-methoxybenzoate
CID 18189777
N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 47064047
5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 119169544

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid?
The IUPAC name of 2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid (CID 45384591) is 2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid.
What is the SMILES notation for 2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid?
The canonical SMILES for 2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid is COc1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid?
The InChIKey is QMPACHAUJYPOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO4/c1-25-14-7-6-10(8-12(14)16(23)24)9-21-15(22)11-4-2-3-5-13(11)17(18,19)20/h2-8H,9H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid?
2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid has a molecular weight of 353.30 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid is sourced from PubChem (CID 45384591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).