2-chloro-4-[4-(trifluoromethyl)anilino]benzoic acid

C14H9ClF3NO2 — CID 63499316

IUPAC2-chloro-4-[4-(trifluoromethyl)anilino]benzoic acid
SMILESO=C(O)c1ccc(Nc2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C14H9ClF3NO2/c15-12-7-10(5-6-11(12)13(20)21)19-9-3-1-8(2-4-9)14(16,17)18/h1-7,19H,(H,20,21)
InChIKeyYDAGHYZRLOWJRX-UHFFFAOYSA-N
MW315.68 g/mol
LogP4.80
Rot. Bonds3

About 2-chloro-4-[4-(trifluoromethyl)anilino]benzoic acid

2-chloro-4-[4-(trifluoromethyl)anilino]benzoic acid (PubChem CID 63499316) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is 2-chloro-4-[4-(trifluoromethyl)anilino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[4-(trifluoromethyl)anilino]benzoic acid
PubChem CID63499316
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Name2-chloro-4-[4-(trifluoromethyl)anilino]benzoic acid
SMILESO=C(O)c1ccc(Nc2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C14H9ClF3NO2/c15-12-7-10(5-6-11(12)13(20)21)19-9-3-1-8(2-4-9)14(16,17)18/h1-7,19H,(H,20,21)
InChIKeyYDAGHYZRLOWJRX-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-methyl-4-[4-(trifluoromethyl)anilino]benzoic acid
CID 63499677
2-bromo-5-[4-(trifluoromethyl)anilino]benzoic acid
CID 115296056
2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid
CID 60862551
5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid
CID 62945822
4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid
CID 107275398
3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062553
2-chloro-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]benzoic acid
CID 114009467
4-(benzenesulfonamido)-2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 92677411
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
2-chloro-4-(methanethioylamino)benzoic acid
CID 177332545
5-bromo-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 63537127
2-chloro-4-(2-methylprop-2-enoylamino)benzoic acid
CID 20793404

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(trifluoromethyl)anilino]benzoic acid?
The IUPAC name of 2-chloro-4-[4-(trifluoromethyl)anilino]benzoic acid (CID 63499316) is 2-chloro-4-[4-(trifluoromethyl)anilino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[4-(trifluoromethyl)anilino]benzoic acid?
The canonical SMILES for 2-chloro-4-[4-(trifluoromethyl)anilino]benzoic acid is O=C(O)c1ccc(Nc2ccc(C(F)(F)F)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[4-(trifluoromethyl)anilino]benzoic acid?
The InChIKey is YDAGHYZRLOWJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c15-12-7-10(5-6-11(12)13(20)21)19-9-3-1-8(2-4-9)14(16,17)18/h1-7,19H,(H,20,21).
What are the key properties of 2-chloro-4-[4-(trifluoromethyl)anilino]benzoic acid?
2-chloro-4-[4-(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-4-[4-(trifluoromethyl)anilino]benzoic acid is sourced from PubChem (CID 63499316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).