2-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid

C16H14FNO2 — CID 82538354

IUPAC2-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid
SMILESO=C(O)c1cc(NC2(c3ccccc3)CC2)ccc1F
InChIInChI=1S/C16H14FNO2/c17-14-7-6-12(10-13(14)15(19)20)18-16(8-9-16)11-4-2-1-3-5-11/h1-7,10,18H,8-9H2,(H,19,20)
InChIKeyIOKIMEPPTNXANX-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.63
Rot. Bonds4

About 2-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid

2-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid (PubChem CID 82538354) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid
PubChem CID82538354
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name2-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid
SMILESO=C(O)c1cc(NC2(c3ccccc3)CC2)ccc1F
InChIInChI=1S/C16H14FNO2/c17-14-7-6-12(10-13(14)15(19)20)18-16(8-9-16)11-4-2-1-3-5-11/h1-7,10,18H,8-9H2,(H,19,20)
InChIKeyIOKIMEPPTNXANX-UHFFFAOYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid (CID 82538354) is 2-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid is O=C(O)c1cc(NC2(c3ccccc3)CC2)ccc1F.
What is the InChIKey of 2-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid?
The InChIKey is IOKIMEPPTNXANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-14-7-6-12(10-13(14)15(19)20)18-16(8-9-16)11-4-2-1-3-5-11/h1-7,10,18H,8-9H2,(H,19,20).
What are the key properties of 2-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid?
2-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid has a molecular weight of 271.29 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid is sourced from PubChem (CID 82538354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).