2-chloro-6-(3-fluoro-N-methylanilino)benzoic acid

C14H11ClFNO2 — CID 55091087

IUPAC2-chloro-6-(3-fluoro-N-methylanilino)benzoic acid
SMILESCN(c1cccc(F)c1)c1cccc(Cl)c1C(=O)O
InChIInChI=1S/C14H11ClFNO2/c1-17(10-5-2-4-9(16)8-10)12-7-3-6-11(15)13(12)14(18)19/h2-8H,1H3,(H,18,19)
InChIKeyISBUFKSILXIEOU-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.95
Rot. Bonds3

About 2-chloro-6-(3-fluoro-N-methylanilino)benzoic acid

2-chloro-6-(3-fluoro-N-methylanilino)benzoic acid (PubChem CID 55091087) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 2-chloro-6-(3-fluoro-N-methylanilino)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(3-fluoro-N-methylanilino)benzoic acid
PubChem CID55091087
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name2-chloro-6-(3-fluoro-N-methylanilino)benzoic acid
SMILESCN(c1cccc(F)c1)c1cccc(Cl)c1C(=O)O
InChIInChI=1S/C14H11ClFNO2/c1-17(10-5-2-4-9(16)8-10)12-7-3-6-11(15)13(12)14(18)19/h2-8H,1H3,(H,18,19)
InChIKeyISBUFKSILXIEOU-UHFFFAOYSA-N
XLogP3.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline
CID 104838971
3-(2-chloro-N-methylanilino)benzoic acid
CID 117029299
4-(3-fluoro-N-methylanilino)-3-methylbenzoic acid
CID 62120793
5-bromo-2-(3-fluoro-N-methylanilino)benzoic acid
CID 114895693
1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol
CID 55130733
(1R)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol
CID 78940935
2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid
CID 43267297
2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid
CID 43614200
(1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol
CID 55184502
2-chloro-6-[methyl(pentan-3-yl)amino]benzoic acid
CID 43571282
3-amino-2-(3-fluoro-N-methylanilino)benzoic acid
CID 112578745
3-[3-fluoro-4-(3-fluoro-N-methylanilino)phenyl]prop-2-enoic acid
CID 76930880

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-fluoro-N-methylanilino)benzoic acid?
The IUPAC name of 2-chloro-6-(3-fluoro-N-methylanilino)benzoic acid (CID 55091087) is 2-chloro-6-(3-fluoro-N-methylanilino)benzoic acid.
What is the SMILES notation for 2-chloro-6-(3-fluoro-N-methylanilino)benzoic acid?
The canonical SMILES for 2-chloro-6-(3-fluoro-N-methylanilino)benzoic acid is CN(c1cccc(F)c1)c1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-(3-fluoro-N-methylanilino)benzoic acid?
The InChIKey is ISBUFKSILXIEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-17(10-5-2-4-9(16)8-10)12-7-3-6-11(15)13(12)14(18)19/h2-8H,1H3,(H,18,19).
What are the key properties of 2-chloro-6-(3-fluoro-N-methylanilino)benzoic acid?
2-chloro-6-(3-fluoro-N-methylanilino)benzoic acid has a molecular weight of 279.70 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-fluoro-N-methylanilino)benzoic acid is sourced from PubChem (CID 55091087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).