2-chloro-5-[1-(2,5-difluorophenyl)ethylamino]benzoic acid

C15H12ClF2NO2 — CID 43736287

IUPAC2-chloro-5-[1-(2,5-difluorophenyl)ethylamino]benzoic acid
SMILESCC(Nc1ccc(Cl)c(C(=O)O)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H12ClF2NO2/c1-8(11-6-9(17)2-5-14(11)18)19-10-3-4-13(16)12(7-10)15(20)21/h2-8,19H,1H3,(H,20,21)
InChIKeyBIVZYIYGDBZCCK-UHFFFAOYSA-N
MW311.72 g/mol
LogP4.49
Rot. Bonds4

About 2-chloro-5-[1-(2,5-difluorophenyl)ethylamino]benzoic acid

2-chloro-5-[1-(2,5-difluorophenyl)ethylamino]benzoic acid (PubChem CID 43736287) has the molecular formula C15H12ClF2NO2 and a molecular weight of 311.72 g/mol. Its IUPAC name is 2-chloro-5-[1-(2,5-difluorophenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[1-(2,5-difluorophenyl)ethylamino]benzoic acid
PubChem CID43736287
Molecular FormulaC15H12ClF2NO2
Molecular Weight311.72 g/mol
Exact Mass311.05
IUPAC Name2-chloro-5-[1-(2,5-difluorophenyl)ethylamino]benzoic acid
SMILESCC(Nc1ccc(Cl)c(C(=O)O)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H12ClF2NO2/c1-8(11-6-9(17)2-5-14(11)18)19-10-3-4-13(16)12(7-10)15(20)21/h2-8,19H,1H3,(H,20,21)
InChIKeyBIVZYIYGDBZCCK-UHFFFAOYSA-N
XLogP4.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzoic acid
CID 63064819
5-[1-(2,5-difluorophenyl)ethylamino]-2-methylbenzamide
CID 56788859
4-[1-(2,5-difluorophenyl)ethylamino]phenol
CID 43742782
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256
5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide
CID 43705401
5-[1-(2,5-dihydroxyphenyl)ethylamino]-2-fluorobenzoic acid
CID 43727942
2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43736310
2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile
CID 43686866
N-[3-[1-(2,5-difluorophenyl)ethylamino]phenyl]-2-hydroxyacetamide
CID 111121722
5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 63673161
2-chloro-5-(2-chloropropanoylamino)benzoic acid
CID 43701854
2-chloro-5-(2-hydroxypropanoylamino)benzoic acid
CID 83768315

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-(2,5-difluorophenyl)ethylamino]benzoic acid?
The IUPAC name of 2-chloro-5-[1-(2,5-difluorophenyl)ethylamino]benzoic acid (CID 43736287) is 2-chloro-5-[1-(2,5-difluorophenyl)ethylamino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[1-(2,5-difluorophenyl)ethylamino]benzoic acid?
The canonical SMILES for 2-chloro-5-[1-(2,5-difluorophenyl)ethylamino]benzoic acid is CC(Nc1ccc(Cl)c(C(=O)O)c1)c1cc(F)ccc1F.
What is the InChIKey of 2-chloro-5-[1-(2,5-difluorophenyl)ethylamino]benzoic acid?
The InChIKey is BIVZYIYGDBZCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO2/c1-8(11-6-9(17)2-5-14(11)18)19-10-3-4-13(16)12(7-10)15(20)21/h2-8,19H,1H3,(H,20,21).
What are the key properties of 2-chloro-5-[1-(2,5-difluorophenyl)ethylamino]benzoic acid?
2-chloro-5-[1-(2,5-difluorophenyl)ethylamino]benzoic acid has a molecular weight of 311.72 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-(2,5-difluorophenyl)ethylamino]benzoic acid is sourced from PubChem (CID 43736287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).