4-(3-chloroanilino)-3,5-difluorobenzoic acid

C13H8ClF2NO2 — CID 63184063

IUPAC4-(3-chloroanilino)-3,5-difluorobenzoic acid
SMILESO=C(O)c1cc(F)c(Nc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C13H8ClF2NO2/c14-8-2-1-3-9(6-8)17-12-10(15)4-7(13(18)19)5-11(12)16/h1-6,17H,(H,18,19)
InChIKeyNGJOZMCKJJWOIY-UHFFFAOYSA-N
MW283.66 g/mol
LogP4.06
Rot. Bonds3

About 4-(3-chloroanilino)-3,5-difluorobenzoic acid

4-(3-chloroanilino)-3,5-difluorobenzoic acid (PubChem CID 63184063) has the molecular formula C13H8ClF2NO2 and a molecular weight of 283.66 g/mol. Its IUPAC name is 4-(3-chloroanilino)-3,5-difluorobenzoic acid.

Molecular Properties

Compound Name4-(3-chloroanilino)-3,5-difluorobenzoic acid
PubChem CID63184063
Molecular FormulaC13H8ClF2NO2
Molecular Weight283.66 g/mol
Exact Mass283.02
IUPAC Name4-(3-chloroanilino)-3,5-difluorobenzoic acid
SMILESO=C(O)c1cc(F)c(Nc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C13H8ClF2NO2/c14-8-2-1-3-9(6-8)17-12-10(15)4-7(13(18)19)5-11(12)16/h1-6,17H,(H,18,19)
InChIKeyNGJOZMCKJJWOIY-UHFFFAOYSA-N
XLogP4.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.66
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-4-(3-methylanilino)benzoic acid
CID 55159434
N-(3-chlorophenyl)-2,6-difluoroaniline
CID 82536842
4-(2,5-dichloroanilino)-3,5-difluorobenzoic acid
CID 63528498
3-(3-chloro-4-fluoroanilino)benzoic acid
CID 82536192
3-(2,3,4,5,6-pentafluoroanilino)benzoic acid
CID 43238245
3-(2,6-dichloroanilino)benzoic acid
CID 56930861
4-amino-3-(3-chloroanilino)benzoic acid
CID 82785514
4-(3-chlorophenyl)sulfanyl-3,5-difluorobenzoic acid
CID 63537040
5,6-dichloro-4-(3-chloroanilino)pyridine-3-carboxylic acid
CID 118412418
N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113047474
2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid
CID 95483501
4-(4-bromo-3-methoxyanilino)-3,5-difluorobenzoic acid
CID 82859212

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroanilino)-3,5-difluorobenzoic acid?
The IUPAC name of 4-(3-chloroanilino)-3,5-difluorobenzoic acid (CID 63184063) is 4-(3-chloroanilino)-3,5-difluorobenzoic acid.
What is the SMILES notation for 4-(3-chloroanilino)-3,5-difluorobenzoic acid?
The canonical SMILES for 4-(3-chloroanilino)-3,5-difluorobenzoic acid is O=C(O)c1cc(F)c(Nc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 4-(3-chloroanilino)-3,5-difluorobenzoic acid?
The InChIKey is NGJOZMCKJJWOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NO2/c14-8-2-1-3-9(6-8)17-12-10(15)4-7(13(18)19)5-11(12)16/h1-6,17H,(H,18,19).
What are the key properties of 4-(3-chloroanilino)-3,5-difluorobenzoic acid?
4-(3-chloroanilino)-3,5-difluorobenzoic acid has a molecular weight of 283.66 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroanilino)-3,5-difluorobenzoic acid is sourced from PubChem (CID 63184063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).