2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid

C12H16FNO2 — CID 63675024

IUPAC2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid
SMILESCC(C)(C)CNc1ccc(F)cc1C(=O)O
InChIInChI=1S/C12H16FNO2/c1-12(2,3)7-14-10-5-4-8(13)6-9(10)11(15)16/h4-6,14H,7H2,1-3H3,(H,15,16)
InChIKeyWGXFYDSKEMDNDF-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.98
Rot. Bonds3

About 2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid

2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid (PubChem CID 63675024) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid
PubChem CID63675024
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid
SMILESCC(C)(C)CNc1ccc(F)cc1C(=O)O
InChIInChI=1S/C12H16FNO2/c1-12(2,3)7-14-10-5-4-8(13)6-9(10)11(15)16/h4-6,14H,7H2,1-3H3,(H,15,16)
InChIKeyWGXFYDSKEMDNDF-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Mefenamic Acid
CID 4044
Flufenamic Acid
CID 3371
Methyl N-methylanthranilate
CID 6826
N-Phenylanthranilic Acid
CID 4386
Enfenamic Acid
CID 31635
N-acetylanthranilic acid
CID 6971
Methyl n-acetylanthranilate
CID 17623
Ethyl N-methylanthranilate
CID 101365
Methyl n-formylanthranilate
CID 162458
N-(2-carboxyphenyl)glycine
CID 69161
4-(Hexadecylamino)benzoic acid
CID 47263
N-Benzoylanthranilate
CID 5091716

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid?
The IUPAC name of 2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid (CID 63675024) is 2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid?
The canonical SMILES for 2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid is CC(C)(C)CNc1ccc(F)cc1C(=O)O.
What is the InChIKey of 2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid?
The InChIKey is WGXFYDSKEMDNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-12(2,3)7-14-10-5-4-8(13)6-9(10)11(15)16/h4-6,14H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid?
2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid has a molecular weight of 225.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid is sourced from PubChem (CID 63675024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).