4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid

C15H13ClFNO2 — CID 63512040

IUPAC4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
SMILESCC(Nc1cc(Cl)ccc1C(=O)O)c1ccccc1F
InChIInChI=1S/C15H13ClFNO2/c1-9(11-4-2-3-5-13(11)17)18-14-8-10(16)6-7-12(14)15(19)20/h2-9,18H,1H3,(H,19,20)
InChIKeyXTTQBXDPHKTDFT-UHFFFAOYSA-N
MW293.73 g/mol
LogP4.35
Rot. Bonds4

About 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid

4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid (PubChem CID 63512040) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
PubChem CID63512040
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
SMILESCC(Nc1cc(Cl)ccc1C(=O)O)c1ccccc1F
InChIInChI=1S/C15H13ClFNO2/c1-9(11-4-2-3-5-13(11)17)18-14-8-10(16)6-7-12(14)15(19)20/h2-9,18H,1H3,(H,19,20)
InChIKeyXTTQBXDPHKTDFT-UHFFFAOYSA-N
XLogP4.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate
CID 43680646
2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 79834697
5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 63673161
2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid
CID 43322111
3-fluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 62710157
2-amino-3-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 115545326
2-[1-(4-bromophenyl)ethylamino]-4-chlorobenzoic acid
CID 63513944
4-[1-(2-chlorophenyl)ethylamino]-2,3-difluorobenzoic acid
CID 79834693
2-[1-(2-chlorophenyl)ethylamino]benzoic acid
CID 43322123
4-chloro-2-[2,6-di(propan-2-yl)anilino]benzoic acid
CID 71769483
2,4,5-trichloro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43108233
2-bromo-6-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 114887955

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid?
The IUPAC name of 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid (CID 63512040) is 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid?
The canonical SMILES for 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid is CC(Nc1cc(Cl)ccc1C(=O)O)c1ccccc1F.
What is the InChIKey of 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid?
The InChIKey is XTTQBXDPHKTDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-9(11-4-2-3-5-13(11)17)18-14-8-10(16)6-7-12(14)15(19)20/h2-9,18H,1H3,(H,19,20).
What are the key properties of 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid?
4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid has a molecular weight of 293.73 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid is sourced from PubChem (CID 63512040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).