2-fluoro-6-(propylamino)benzoic acid

C10H12FNO2 — CID 79522268

IUPAC2-fluoro-6-(propylamino)benzoic acid
SMILESCCCNc1cccc(F)c1C(=O)O
InChIInChI=1S/C10H12FNO2/c1-2-6-12-8-5-3-4-7(11)9(8)10(13)14/h3-5,12H,2,6H2,1H3,(H,13,14)
InChIKeyQNEBXSOQECGYCU-UHFFFAOYSA-N
MW197.21 g/mol
LogP2.35
Rot. Bonds4

About 2-fluoro-6-(propylamino)benzoic acid

2-fluoro-6-(propylamino)benzoic acid (PubChem CID 79522268) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-fluoro-6-(propylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-(propylamino)benzoic acid
PubChem CID79522268
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-fluoro-6-(propylamino)benzoic acid
SMILESCCCNc1cccc(F)c1C(=O)O
InChIInChI=1S/C10H12FNO2/c1-2-6-12-8-5-3-4-7(11)9(8)10(13)14/h3-5,12H,2,6H2,1H3,(H,13,14)
InChIKeyQNEBXSOQECGYCU-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-3-(propylamino)benzoic acid
CID 171338126
2-fluoro-6-(3-methylsulfonylpropylamino)benzoic acid
CID 79522433
2-fluoro-6-(prop-2-ynylamino)benzoic acid
CID 79522669
2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid
CID 79522672
2-fluoro-6-[2-(4-fluorophenyl)ethylamino]benzoic acid
CID 79521946
2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid
CID 79523169
2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid
CID 79522120
2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid
CID 79522270
2-[(2-amino-2-methylpentanoyl)amino]-6-fluorobenzoic acid
CID 61158491
2-(diethylcarbamoylamino)-6-fluorobenzoic acid
CID 61187513
2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid
CID 79522747
2-(2-ethylhexanoylamino)-6-fluorobenzoic acid
CID 43442827

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(propylamino)benzoic acid?
The IUPAC name of 2-fluoro-6-(propylamino)benzoic acid (CID 79522268) is 2-fluoro-6-(propylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-6-(propylamino)benzoic acid?
The canonical SMILES for 2-fluoro-6-(propylamino)benzoic acid is CCCNc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-(propylamino)benzoic acid?
The InChIKey is QNEBXSOQECGYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-2-6-12-8-5-3-4-7(11)9(8)10(13)14/h3-5,12H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-fluoro-6-(propylamino)benzoic acid?
2-fluoro-6-(propylamino)benzoic acid has a molecular weight of 197.21 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(propylamino)benzoic acid is sourced from PubChem (CID 79522268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).