2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid

C12H12FNO3 — CID 43442755

IUPAC2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid
SMILESO=C(CC1CC1)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C12H12FNO3/c13-8-2-1-3-9(11(8)12(16)17)14-10(15)6-7-4-5-7/h1-3,7H,4-6H2,(H,14,15)(H,16,17)
InChIKeyQBKDSRNTHNQUHF-UHFFFAOYSA-N
MW237.23 g/mol
LogP2.26
Rot. Bonds4

About 2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid

2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid (PubChem CID 43442755) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid
PubChem CID43442755
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid
SMILESO=C(CC1CC1)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C12H12FNO3/c13-8-2-1-3-9(11(8)12(16)17)14-10(15)6-7-4-5-7/h1-3,7H,4-6H2,(H,14,15)(H,16,17)
InChIKeyQBKDSRNTHNQUHF-UHFFFAOYSA-N
XLogP2.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-6-fluorobenzoic acid
CID 79511939
N-(2,3-difluorophenyl)-2-(4-phenylcyclohexyl)acetamide
CID 174866386
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid
CID 61208825
2-fluoro-6-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66421077
2-(1-cyclopropylpropan-2-ylamino)-6-fluorobenzoic acid
CID 79511640
2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid
CID 43358568
2-fluoro-6-(4-methylpentanoylamino)benzoic acid
CID 43442857
2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
CID 43442842
2-(1-cyclopropylbutan-2-ylamino)-6-fluorobenzoic acid
CID 79511641
2-(cyclopent-3-ene-1-carbonylamino)-6-fluorobenzoic acid
CID 64767259
2-fluoro-6-(3-methylpentanoylamino)benzoic acid
CID 114873617
2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597623

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid?
The IUPAC name of 2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid (CID 43442755) is 2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid?
The canonical SMILES for 2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid is O=C(CC1CC1)Nc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid?
The InChIKey is QBKDSRNTHNQUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-8-2-1-3-9(11(8)12(16)17)14-10(15)6-7-4-5-7/h1-3,7H,4-6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid?
2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid has a molecular weight of 237.23 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid is sourced from PubChem (CID 43442755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).