2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid

C17H15F3N2O4 — CID 23512067

IUPAC2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
SMILESCOc1cc(CC(=O)O)ccc1NC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N2O4/c1-26-14-8-10(9-15(23)24)6-7-13(14)22-16(25)21-12-5-3-2-4-11(12)17(18,19)20/h2-8H,9H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyOQXWOPQSIBNVQQ-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.99
Rot. Bonds5

About 2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid

2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid (PubChem CID 23512067) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is 2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
PubChem CID23512067
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Name2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
SMILESCOc1cc(CC(=O)O)ccc1NC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N2O4/c1-26-14-8-10(9-15(23)24)6-7-13(14)22-16(25)21-12-5-3-2-4-11(12)17(18,19)20/h2-8H,9H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyOQXWOPQSIBNVQQ-UHFFFAOYSA-N
XLogP3.99
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(S)-fluoro-[(2S)-2-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetyl]pyrrolidin-1-yl]methoxy]benzoic acid
CID 139939726
4-[[2-fluoro-2-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetyl]pyrrolidin-1-yl]methoxy]benzoic acid
CID 142036366
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
CID 108866565
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
tert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate
CID 23511829
1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea
CID 141036377
2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24564727
1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112971460
2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid
CID 163778981
methyl 4-[1-fluoro-3-[3-methoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-oxo-1-pyrrolidin-1-ylpropoxy]benzoate
CID 23512296
3-[3-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]propylcarbamoylamino]butanoic acid
CID 70088943

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid (CID 23512067) is 2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid is COc1cc(CC(=O)O)ccc1NC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid?
The InChIKey is OQXWOPQSIBNVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-26-14-8-10(9-15(23)24)6-7-13(14)22-16(25)21-12-5-3-2-4-11(12)17(18,19)20/h2-8H,9H2,1H3,(H,23,24)(H2,21,22,25).
What are the key properties of 2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid?
2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid has a molecular weight of 368.31 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 23512067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).