2-methoxy-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid

C18H16F3NO5 — CID 71076797

IUPAC2-methoxy-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
SMILESCOc1ccc(CC(=O)Nc2ccc(C(=O)O)c(OC)c2)c(C(F)(F)F)c1
InChIInChI=1S/C18H16F3NO5/c1-26-12-5-3-10(14(9-12)18(19,20)21)7-16(23)22-11-4-6-13(17(24)25)15(8-11)27-2/h3-6,8-9H,7H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyOLFHWAPSVHCTJS-UHFFFAOYSA-N
MW383.32 g/mol
LogP3.60
Rot. Bonds6

About 2-methoxy-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid

2-methoxy-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid (PubChem CID 71076797) has the molecular formula C18H16F3NO5 and a molecular weight of 383.32 g/mol. Its IUPAC name is 2-methoxy-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
PubChem CID71076797
Molecular FormulaC18H16F3NO5
Molecular Weight383.32 g/mol
Exact Mass383.10
IUPAC Name2-methoxy-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
SMILESCOc1ccc(CC(=O)Nc2ccc(C(=O)O)c(OC)c2)c(C(F)(F)F)c1
InChIInChI=1S/C18H16F3NO5/c1-26-12-5-3-10(14(9-12)18(19,20)21)7-16(23)22-11-4-6-13(17(24)25)15(8-11)27-2/h3-6,8-9H,7H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyOLFHWAPSVHCTJS-UHFFFAOYSA-N
XLogP3.60
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 71078628
N-[4-[hydroxy(propan-2-yloxy)methyl]-3-propan-2-yloxyphenyl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
CID 126690445
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 92670451
propan-2-yl 4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzenecarboperoxoate
CID 89253550
2-(2,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9404556
2-methoxy-4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 107208815
2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid
CID 107208858
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)acetamide
CID 9400761
4-[[[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]methyl]benzoic acid
CID 123681704
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid?
The IUPAC name of 2-methoxy-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid (CID 71076797) is 2-methoxy-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid.
What is the SMILES notation for 2-methoxy-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid?
The canonical SMILES for 2-methoxy-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid is COc1ccc(CC(=O)Nc2ccc(C(=O)O)c(OC)c2)c(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid?
The InChIKey is OLFHWAPSVHCTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO5/c1-26-12-5-3-10(14(9-12)18(19,20)21)7-16(23)22-11-4-6-13(17(24)25)15(8-11)27-2/h3-6,8-9H,7H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-methoxy-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid?
2-methoxy-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid has a molecular weight of 383.32 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid is sourced from PubChem (CID 71076797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).