1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid

C15H18FNO4 — CID 65433406

IUPAC1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(F)c1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H18FNO4/c1-21-11-7-5-6-10(16)12(11)13(18)17-15(14(19)20)8-3-2-4-9-15/h5-7H,2-4,8-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyUPBORHGETDBURQ-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.35
Rot. Bonds4

About 1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid

1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 65433406) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID65433406
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(F)c1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H18FNO4/c1-21-11-7-5-6-10(16)12(11)13(18)17-15(14(19)20)8-3-2-4-9-15/h5-7H,2-4,8-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyUPBORHGETDBURQ-UHFFFAOYSA-N
XLogP2.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43162964
2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 65433607
N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide
CID 65432344
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673
1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351057
1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 22327477
1-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120666403
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91770086
1-[[2-(2,3-difluorophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538773
1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119113812
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid (CID 65433406) is 1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid is COc1cccc(F)c1C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is UPBORHGETDBURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-21-11-7-5-6-10(16)12(11)13(18)17-15(14(19)20)8-3-2-4-9-15/h5-7H,2-4,8-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65433406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).