2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid

C14H9ClF3NO2 — CID 63500586

IUPAC2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid
SMILESO=C(O)c1cc(Nc2ccccc2C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H9ClF3NO2/c15-11-6-5-8(7-9(11)13(20)21)19-12-4-2-1-3-10(12)14(16,17)18/h1-7,19H,(H,20,21)
InChIKeySXKXWADUJJZFSO-UHFFFAOYSA-N
MW315.68 g/mol
LogP4.80
Rot. Bonds3

About 2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid

2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid (PubChem CID 63500586) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is 2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid
PubChem CID63500586
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Name2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid
SMILESO=C(O)c1cc(Nc2ccccc2C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H9ClF3NO2/c15-11-6-5-8(7-9(11)13(20)21)19-12-4-2-1-3-10(12)14(16,17)18/h1-7,19H,(H,20,21)
InChIKeySXKXWADUJJZFSO-UHFFFAOYSA-N
XLogP4.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(propanoylamino)-5-[2-(trifluoromethyl)anilino]benzoic acid
CID 22033709
2-[4-[2-chloro-4-[2-(trifluoromethyl)phenyl]anilino]anilino]benzoic acid
CID 155134025
5-(2-chloroanilino)-2-fluorobenzoic acid
CID 82536969
[4-(2-aminoanilino)-2-chlorophenyl]-[2-(trifluoromethyl)phenyl]methanone
CID 15895830
2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid
CID 60862551
N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109218783
1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859814
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
2-amino-5-(2,3-dichloroanilino)benzoic acid
CID 54888225
N-(4-nitrosophenyl)-2-(trifluoromethyl)aniline
CID 19021339
2-chloro-4-[4-(trifluoromethyl)anilino]benzoic acid
CID 63499316
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 16654156

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid?
The IUPAC name of 2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid (CID 63500586) is 2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid?
The canonical SMILES for 2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid is O=C(O)c1cc(Nc2ccccc2C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid?
The InChIKey is SXKXWADUJJZFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c15-11-6-5-8(7-9(11)13(20)21)19-12-4-2-1-3-10(12)14(16,17)18/h1-7,19H,(H,20,21).
What are the key properties of 2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid?
2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid has a molecular weight of 315.68 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid is sourced from PubChem (CID 63500586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).