2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid

C12H12FNO3 — CID 43358568

IUPAC2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid
SMILESO=C(CC1CC1)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C12H12FNO3/c13-8-3-4-9(12(16)17)10(6-8)14-11(15)5-7-1-2-7/h3-4,6-7H,1-2,5H2,(H,14,15)(H,16,17)
InChIKeyWBVGDMQRMZSNHU-UHFFFAOYSA-N
MW237.23 g/mol
LogP2.26
Rot. Bonds4

About 2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid

2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid (PubChem CID 43358568) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid
PubChem CID43358568
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid
SMILESO=C(CC1CC1)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C12H12FNO3/c13-8-3-4-9(12(16)17)10(6-8)14-11(15)5-7-1-2-7/h3-4,6-7H,1-2,5H2,(H,14,15)(H,16,17)
InChIKeyWBVGDMQRMZSNHU-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

4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid
CID 62675630
2-[(2-bromoacetyl)amino]-4-fluorobenzoic acid
CID 18929235
2-(3-aminopropanoylamino)-4-fluorobenzoic acid
CID 61157930
4-bromo-2-[[2-(thian-4-yl)acetyl]amino]benzoic acid
CID 83145281
5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid
CID 62074315
4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 61158830
2-(cycloheptanecarbonylamino)-4-fluorobenzoic acid
CID 62585770
4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
CID 28934222
2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid
CID 43442755
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 63656160
4-fluoro-2-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 61157031
4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid
CID 61157573

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid (CID 43358568) is 2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid is O=C(CC1CC1)Nc1cc(F)ccc1C(=O)O.
What is the InChIKey of 2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid?
The InChIKey is WBVGDMQRMZSNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-8-3-4-9(12(16)17)10(6-8)14-11(15)5-7-1-2-7/h3-4,6-7H,1-2,5H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid?
2-[(2-cyclopropylacetyl)amino]-4-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]-4-fluorobenzoic acid is sourced from PubChem (CID 43358568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).