2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid

C14H11ClFNO2 — CID 66257062

IUPAC2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid
SMILESCc1cccc(Cl)c1Nc1c(F)cccc1C(=O)O
InChIInChI=1S/C14H11ClFNO2/c1-8-4-2-6-10(15)12(8)17-13-9(14(18)19)5-3-7-11(13)16/h2-7,17H,1H3,(H,18,19)
InChIKeyDINWKZXBJOIIMY-UHFFFAOYSA-N
MW279.70 g/mol
LogP4.23
Rot. Bonds3

About 2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid

2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid (PubChem CID 66257062) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid
PubChem CID66257062
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid
SMILESCc1cccc(Cl)c1Nc1c(F)cccc1C(=O)O
InChIInChI=1S/C14H11ClFNO2/c1-8-4-2-6-10(15)12(8)17-13-9(14(18)19)5-3-7-11(13)16/h2-7,17H,1H3,(H,18,19)
InChIKeyDINWKZXBJOIIMY-UHFFFAOYSA-N
XLogP4.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoroanilino)-3-methylbenzoic acid
CID 174940932
2-(chloroamino)-3-fluorobenzoic acid
CID 139823776
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226
2-(2,5-dimethylanilino)-3-fluorobenzoic acid
CID 63538460
acetyl 2-(2,6-dichloroanilino)-3-methylbenzoate
CID 174742903
2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 81497353
2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid
CID 110453077
3-fluoro-2-(hydroxyamino)benzoic acid
CID 82863522
2-[(2-bromo-3-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046859
3-fluoro-2-hydrazinylbenzoic acid
CID 82007573
2-(4-bromo-2,3-dichloroanilino)-3-fluorobenzoic acid
CID 107791147
3-chloro-2-(2-chloroanilino)benzoic acid
CID 615153

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid?
The IUPAC name of 2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid (CID 66257062) is 2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid.
What is the SMILES notation for 2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid?
The canonical SMILES for 2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid is Cc1cccc(Cl)c1Nc1c(F)cccc1C(=O)O.
What is the InChIKey of 2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid?
The InChIKey is DINWKZXBJOIIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-8-4-2-6-10(15)12(8)17-13-9(14(18)19)5-3-7-11(13)16/h2-7,17H,1H3,(H,18,19).
What are the key properties of 2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid?
2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid has a molecular weight of 279.70 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid is sourced from PubChem (CID 66257062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).