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

C15H19ClN2O3 — CID 115616953

IUPACmethyl 4-[(4-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN2O3/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)
InChIKeyPLDQKUJXVRVCIQ-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.19
Rot. Bonds3

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

methyl 4-[(4-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate (PubChem CID 115616953) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is methyl 4-[(4-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate
PubChem CID115616953
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Namemethyl 4-[(4-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN2O3/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)
InChIKeyPLDQKUJXVRVCIQ-UHFFFAOYSA-N
XLogP3.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate
CID 115616958
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
CID 53255615
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
CID 11026212
1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 110874683
methyl 1-[(4-chlorophenyl)carbamothioyl]piperidine-4-carboxylate
CID 8743307
methyl 4-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 115617309
1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea
CID 3710204
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
CID 110874676
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide
CID 60573055

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(4-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate (CID 115616953) is methyl 4-[(4-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(4-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(4-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of methyl 4-[(4-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate?
The InChIKey is PLDQKUJXVRVCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/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-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate?
methyl 4-[(4-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate has a molecular weight of 310.78 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 115616953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).