2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid

C13H16FNO2 — CID 43313053

IUPAC2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid
SMILESCCCN(c1ccc(F)cc1C(=O)O)C1CC1
InChIInChI=1S/C13H16FNO2/c1-2-7-15(10-4-5-10)12-6-3-9(14)8-11(12)13(16)17/h3,6,8,10H,2,4-5,7H2,1H3,(H,16,17)
InChIKeyFTYRDIYLZAPQBN-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.90
Rot. Bonds5

About 2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid

2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid (PubChem CID 43313053) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid
PubChem CID43313053
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid
SMILESCCCN(c1ccc(F)cc1C(=O)O)C1CC1
InChIInChI=1S/C13H16FNO2/c1-2-7-15(10-4-5-10)12-6-3-9(14)8-11(12)13(16)17/h3,6,8,10H,2,4-5,7H2,1H3,(H,16,17)
InChIKeyFTYRDIYLZAPQBN-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-fluorobenzoic acid
CID 55010433
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-5-fluorobenzoic acid
CID 61434471
2-(chloromethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 43313547
2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid
CID 165485905
2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55190464
3-chloro-4-[cyclopropyl(propyl)amino]benzoic acid
CID 55179695
2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55234833
N-cyclopropyl-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115298911
2-[[cyclopropyl(ethyl)amino]methyl]-5-fluorobenzoic acid
CID 63289445
2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide
CID 43270647
2-amino-4-[cyclopropyl(propyl)amino]benzoic acid
CID 104500233
2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid
CID 61443329

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid?
The IUPAC name of 2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid (CID 43313053) is 2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid?
The canonical SMILES for 2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid is CCCN(c1ccc(F)cc1C(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid?
The InChIKey is FTYRDIYLZAPQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-2-7-15(10-4-5-10)12-6-3-9(14)8-11(12)13(16)17/h3,6,8,10H,2,4-5,7H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid?
2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid has a molecular weight of 237.27 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid is sourced from PubChem (CID 43313053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).