[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid

C16H20ClFN2O4 — CID 155254242

IUPAC[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid
SMILESCN(C(=O)COc1ccc(Cl)c(F)c1)C1CCC(NC(=O)O)CC1
InChIInChI=1S/C16H20ClFN2O4/c1-20(11-4-2-10(3-5-11)19-16(22)23)15(21)9-24-12-6-7-13(17)14(18)8-12/h6-8,10-11,19H,2-5,9H2,1H3,(H,22,23)
InChIKeyCIHGOPPDPUWGDC-UHFFFAOYSA-N
MW358.80 g/mol
LogP2.90
Rot. Bonds5

About [4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid

[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid (PubChem CID 155254242) has the molecular formula C16H20ClFN2O4 and a molecular weight of 358.80 g/mol. Its IUPAC name is [4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid
PubChem CID155254242
Molecular FormulaC16H20ClFN2O4
Molecular Weight358.80 g/mol
Exact Mass358.11
IUPAC Name[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid
SMILESCN(C(=O)COc1ccc(Cl)c(F)c1)C1CCC(NC(=O)O)CC1
InChIInChI=1S/C16H20ClFN2O4/c1-20(11-4-2-10(3-5-11)19-16(22)23)15(21)9-24-12-6-7-13(17)14(18)8-12/h6-8,10-11,19H,2-5,9H2,1H3,(H,22,23)
InChIKeyCIHGOPPDPUWGDC-UHFFFAOYSA-N
XLogP2.90
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid with MolForge

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Related Compounds

N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
CID 112818677
2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 79117952
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-(4-carbamothioyl-3-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 102724327
2-(3-chloro-4-fluorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 18775327
N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 60749452
[(1S,2R,4S,5R)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]carbamic acid
CID 155257001
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
2-(4-chloro-3-fluorophenoxy)-N-[1-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-4-yl]acetamide
CID 146458131
N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride
CID 119476502
2-(4-chloro-3-fluorophenoxy)-N-[1-(2-cyclobutyloxyacetyl)piperidin-4-yl]acetamide
CID 139517542
[(4-aminocyclohexyl)-[2-(4-chloro-3-fluorophenoxy)acetyl]amino] 2,2,2-trifluoroacetate
CID 156689163

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid (CID 155254242) is [4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid is CN(C(=O)COc1ccc(Cl)c(F)c1)C1CCC(NC(=O)O)CC1.
What is the InChIKey of [4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid?
The InChIKey is CIHGOPPDPUWGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O4/c1-20(11-4-2-10(3-5-11)19-16(22)23)15(21)9-24-12-6-7-13(17)14(18)8-12/h6-8,10-11,19H,2-5,9H2,1H3,(H,22,23).
What are the key properties of [4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid?
[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid has a molecular weight of 358.80 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid is sourced from PubChem (CID 155254242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).