methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate

C15H19FN2O3 — CID 115616958

IUPACmethyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O3/c1-21-14(19)10-2-6-12(7-3-10)17-15(20)18-13-8-4-11(16)5-9-13/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,17,18,20)
InChIKeyZKNQQSOFWCATTD-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.68
Rot. Bonds3

About methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate

methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate (PubChem CID 115616958) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate
PubChem CID115616958
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Namemethyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O3/c1-21-14(19)10-2-6-12(7-3-10)17-15(20)18-13-8-4-11(16)5-9-13/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,17,18,20)
InChIKeyZKNQQSOFWCATTD-UHFFFAOYSA-N
XLogP2.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate (CID 115616958) is methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate?
The InChIKey is ZKNQQSOFWCATTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-21-14(19)10-2-6-12(7-3-10)17-15(20)18-13-8-4-11(16)5-9-13/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,17,18,20).
What are the key properties of methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate?
methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate has a molecular weight of 294.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 115616958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).