2-[(4-fluoro-3-methoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid

C16H20FNO4 — CID 120545433

IUPAC2-[(4-fluoro-3-methoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCOc1cc(C(=O)NC2(C)CCCCC2C(=O)O)ccc1F
InChIInChI=1S/C16H20FNO4/c1-16(8-4-3-5-11(16)15(20)21)18-14(19)10-6-7-12(17)13(9-10)22-2/h6-7,9,11H,3-5,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQWFAMRAYUYIYEB-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.60
Rot. Bonds4

About 2-[(4-fluoro-3-methoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid

2-[(4-fluoro-3-methoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 120545433) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluoro-3-methoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID120545433
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Name2-[(4-fluoro-3-methoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCOc1cc(C(=O)NC2(C)CCCCC2C(=O)O)ccc1F
InChIInChI=1S/C16H20FNO4/c1-16(8-4-3-5-11(16)15(20)21)18-14(19)10-6-7-12(17)13(9-10)22-2/h6-7,9,11H,3-5,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQWFAMRAYUYIYEB-UHFFFAOYSA-N
XLogP2.60
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-iodo-4,5-dimethoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 146091132
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120545944
N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide
CID 81041266
trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 124572084
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide
CID 114314064
2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120545622
2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120545609
2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 120545135
2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120545331
2-[3-(2,5-dimethoxyphenyl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120545156
2-[[4-(cyanomethyl)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546510

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-fluoro-3-methoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid (CID 120545433) is 2-[(4-fluoro-3-methoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-fluoro-3-methoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-fluoro-3-methoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid is COc1cc(C(=O)NC2(C)CCCCC2C(=O)O)ccc1F.
What is the InChIKey of 2-[(4-fluoro-3-methoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is QWFAMRAYUYIYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-16(8-4-3-5-11(16)15(20)21)18-14(19)10-6-7-12(17)13(9-10)22-2/h6-7,9,11H,3-5,8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-fluoro-3-methoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid?
2-[(4-fluoro-3-methoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 120545433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).