methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate

C15H18FNO4 — CID 104917472

IUPACmethyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2c(O)cccc2F)CC1
InChIInChI=1S/C15H18FNO4/c1-21-15(20)9-5-7-10(8-6-9)17-14(19)13-11(16)3-2-4-12(13)18/h2-4,9-10,18H,5-8H2,1H3,(H,17,19)
InChIKeyALBGCCYIVUGNHJ-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.99
Rot. Bonds3

About methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate

methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate (PubChem CID 104917472) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate
PubChem CID104917472
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Namemethyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2c(O)cccc2F)CC1
InChIInChI=1S/C15H18FNO4/c1-21-15(20)9-5-7-10(8-6-9)17-14(19)13-11(16)3-2-4-12(13)18/h2-4,9-10,18H,5-8H2,1H3,(H,17,19)
InChIKeyALBGCCYIVUGNHJ-UHFFFAOYSA-N
XLogP1.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107013675
2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide
CID 104920582
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 107014639
methyl 4-[(2,3-dihydroxybenzoyl)amino]cyclohexane-1-carboxylate
CID 114345140
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide
CID 104916913
cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675723
2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide
CID 104916812
N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide
CID 114309013
N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride
CID 119475803
2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 104917016
methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 115617162

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate (CID 104917472) is methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)c2c(O)cccc2F)CC1.
What is the InChIKey of methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate?
The InChIKey is ALBGCCYIVUGNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-21-15(20)9-5-7-10(8-6-9)17-14(19)13-11(16)3-2-4-12(13)18/h2-4,9-10,18H,5-8H2,1H3,(H,17,19).
What are the key properties of methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate?
methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate has a molecular weight of 295.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 104917472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).