2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid

C11H11F3N2O4 — CID 107208858

IUPAC2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid
SMILESCOc1cc(NC(=O)NCC(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C11H11F3N2O4/c1-20-8-4-6(2-3-7(8)9(17)18)16-10(19)15-5-11(12,13)14/h2-4H,5H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyOAXJBIGQEPGAMY-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.08
Rot. Bonds4

About 2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid

2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid (PubChem CID 107208858) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid
PubChem CID107208858
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid
SMILESCOc1cc(NC(=O)NCC(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C11H11F3N2O4/c1-20-8-4-6(2-3-7(8)9(17)18)16-10(19)15-5-11(12,13)14/h2-4H,5H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyOAXJBIGQEPGAMY-UHFFFAOYSA-N
XLogP2.08
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-(3-methylbutylcarbamoylamino)benzoic acid
CID 107209358
N-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
CID 72854483
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
4-(1H-imidazol-5-ylmethylcarbamoylamino)-2-methoxybenzoic acid
CID 107209504
methyl 4-(2,2,2-trifluoroethylcarbamoylamino)benzoate
CID 115584006
2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 107209471
2-methoxy-4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 107208815
4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-2-methoxybenzoic acid
CID 107209399
2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid
CID 107209397
2-methoxy-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 71076797
1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 86795263
4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid
CID 107208073

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid?
The IUPAC name of 2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid (CID 107208858) is 2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid is COc1cc(NC(=O)NCC(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid?
The InChIKey is OAXJBIGQEPGAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-20-8-4-6(2-3-7(8)9(17)18)16-10(19)15-5-11(12,13)14/h2-4H,5H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid?
2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid has a molecular weight of 292.21 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid is sourced from PubChem (CID 107208858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).