2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid

C10H9F3N2O3 — CID 22268814

IUPAC2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
SMILESCNC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C10H9F3N2O3/c1-14-9(18)15-7-3-2-5(10(11,12)13)4-6(7)8(16)17/h2-4H,1H3,(H,16,17)(H2,14,15,18)
InChIKeyMESOZTZOLHAKCT-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.15
Rot. Bonds2

About 2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid

2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid (PubChem CID 22268814) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
PubChem CID22268814
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Name2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
SMILESCNC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C10H9F3N2O3/c1-14-9(18)15-7-3-2-5(10(11,12)13)4-6(7)8(16)17/h2-4H,1H3,(H,16,17)(H2,14,15,18)
InChIKeyMESOZTZOLHAKCT-UHFFFAOYSA-N
XLogP2.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpropanoylamino)-5-(trifluoromethyl)benzoic acid
CID 66270088
2-(propylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 66269363
2-[[2-methyl-3-(methylamino)propanoyl]amino]-5-(trifluoromethyl)benzoic acid
CID 79203995
2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid
CID 66270672
2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid
CID 114806531
2-(3-methylbutanoylamino)-5-(trifluoromethyl)benzoic acid
CID 66269531
5-iodo-2-(methylcarbamoylamino)benzoic acid
CID 63111629
2-(azetidine-1-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 22143302
2-[(2-hydroxy-2-methylpropyl)amino]-5-(trifluoromethyl)benzoic acid
CID 114093515
5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 57011310
2-(butan-2-ylamino)-5-(trifluoromethyl)benzoic acid
CID 62711635
2-(butylamino)-5-(trifluoromethyl)benzoic acid
CID 22143324

Frequently Asked Questions

What is the IUPAC name of 2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid (CID 22268814) is 2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid is CNC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid?
The InChIKey is MESOZTZOLHAKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c1-14-9(18)15-7-3-2-5(10(11,12)13)4-6(7)8(16)17/h2-4H,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid?
2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid has a molecular weight of 262.19 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 22268814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).