2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid

C18H23FN2O4 — CID 120532977

IUPAC2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid
SMILESCC(=O)Nc1ccc(F)c(C(=O)NC2CCCCCCC2C(=O)O)c1
InChIInChI=1S/C18H23FN2O4/c1-11(22)20-12-8-9-15(19)14(10-12)17(23)21-16-7-5-3-2-4-6-13(16)18(24)25/h8-10,13,16H,2-7H2,1H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyUWHVIMKONIIKNU-UHFFFAOYSA-N
MW350.39 g/mol
LogP2.94
Rot. Bonds4

About 2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid

2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid (PubChem CID 120532977) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid
PubChem CID120532977
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid
SMILESCC(=O)Nc1ccc(F)c(C(=O)NC2CCCCCCC2C(=O)O)c1
InChIInChI=1S/C18H23FN2O4/c1-11(22)20-12-8-9-15(19)14(10-12)17(23)21-16-7-5-3-2-4-6-13(16)18(24)25/h8-10,13,16H,2-7H2,1H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyUWHVIMKONIIKNU-UHFFFAOYSA-N
XLogP2.94
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813271
5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 71979777
2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64814525
5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide
CID 119589312
5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide
CID 119424734
2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790786
2-[(3-chloro-4-fluorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82872618
2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103925625
2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
CID 94059666
2-fluoro-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 55171474
2-[[2-(3,4-difluorophenyl)acetyl]amino]cyclooctane-1-carboxylic acid
CID 120532973
2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82809247

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid?
The IUPAC name of 2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid (CID 120532977) is 2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid?
The canonical SMILES for 2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid is CC(=O)Nc1ccc(F)c(C(=O)NC2CCCCCCC2C(=O)O)c1.
What is the InChIKey of 2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid?
The InChIKey is UWHVIMKONIIKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4/c1-11(22)20-12-8-9-15(19)14(10-12)17(23)21-16-7-5-3-2-4-6-13(16)18(24)25/h8-10,13,16H,2-7H2,1H3,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid?
2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid has a molecular weight of 350.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid is sourced from PubChem (CID 120532977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).