2-fluoro-4-[(2-phenylcyclopropyl)amino]benzoic acid

C16H14FNO2 — CID 115485226

IUPAC2-fluoro-4-[(2-phenylcyclopropyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC2CC2c2ccccc2)cc1F
InChIInChI=1S/C16H14FNO2/c17-14-8-11(6-7-12(14)16(19)20)18-15-9-13(15)10-4-2-1-3-5-10/h1-8,13,15,18H,9H2,(H,19,20)
InChIKeyDXQFFZOKBISQKU-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.49
Rot. Bonds4

About 2-fluoro-4-[(2-phenylcyclopropyl)amino]benzoic acid

2-fluoro-4-[(2-phenylcyclopropyl)amino]benzoic acid (PubChem CID 115485226) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-fluoro-4-[(2-phenylcyclopropyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(2-phenylcyclopropyl)amino]benzoic acid
PubChem CID115485226
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name2-fluoro-4-[(2-phenylcyclopropyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC2CC2c2ccccc2)cc1F
InChIInChI=1S/C16H14FNO2/c17-14-8-11(6-7-12(14)16(19)20)18-15-9-13(15)10-4-2-1-3-5-10/h1-8,13,15,18H,9H2,(H,19,20)
InChIKeyDXQFFZOKBISQKU-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[(2-phenylcyclopropyl)amino]benzoic acid
CID 81281627
N-(3-fluorophenyl)-3-[(2-phenylcyclopropyl)amino]benzamide
CID 164589748
2-fluoro-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid
CID 115485537
4-[(3,4-dimethylcyclohexyl)amino]-2-fluorobenzoic acid
CID 115485504
2-fluoro-4-(hydroxyamino)benzoic acid
CID 142889242
3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid
CID 80517888
2-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 115485174
2-fluoro-4-(4-phenylcyclohexyl)benzoic acid
CID 18991194
4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid
CID 113319767
2-fluoro-5-methyl-N-(2-phenylcyclopropyl)benzamide
CID 62513017
2-fluoro-4-[(1-methylpiperidin-3-yl)amino]benzoic acid
CID 113319762
2-fluoro-4-[(4-propylcyclohexyl)amino]benzoic acid
CID 115485237

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-phenylcyclopropyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-4-[(2-phenylcyclopropyl)amino]benzoic acid (CID 115485226) is 2-fluoro-4-[(2-phenylcyclopropyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(2-phenylcyclopropyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(2-phenylcyclopropyl)amino]benzoic acid is O=C(O)c1ccc(NC2CC2c2ccccc2)cc1F.
What is the InChIKey of 2-fluoro-4-[(2-phenylcyclopropyl)amino]benzoic acid?
The InChIKey is DXQFFZOKBISQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-14-8-11(6-7-12(14)16(19)20)18-15-9-13(15)10-4-2-1-3-5-10/h1-8,13,15,18H,9H2,(H,19,20).
What are the key properties of 2-fluoro-4-[(2-phenylcyclopropyl)amino]benzoic acid?
2-fluoro-4-[(2-phenylcyclopropyl)amino]benzoic acid has a molecular weight of 271.29 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-phenylcyclopropyl)amino]benzoic acid is sourced from PubChem (CID 115485226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).