ethyl 1-[(3,5-dichlorophenyl)carbamoyl]cyclobutane-1-carboxylate

C14H15Cl2NO3 — CID 19096840

IUPACethyl 1-[(3,5-dichlorophenyl)carbamoyl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)Nc2cc(Cl)cc(Cl)c2)CCC1
InChIInChI=1S/C14H15Cl2NO3/c1-2-20-13(19)14(4-3-5-14)12(18)17-11-7-9(15)6-10(16)8-11/h6-8H,2-5H2,1H3,(H,17,18)
InChIKeyUUUXEDQEPAEVEZ-UHFFFAOYSA-N
MW316.18 g/mol
LogP3.67
Rot. Bonds4

About ethyl 1-[(3,5-dichlorophenyl)carbamoyl]cyclobutane-1-carboxylate

ethyl 1-[(3,5-dichlorophenyl)carbamoyl]cyclobutane-1-carboxylate (PubChem CID 19096840) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is ethyl 1-[(3,5-dichlorophenyl)carbamoyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3,5-dichlorophenyl)carbamoyl]cyclobutane-1-carboxylate
PubChem CID19096840
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Nameethyl 1-[(3,5-dichlorophenyl)carbamoyl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)Nc2cc(Cl)cc(Cl)c2)CCC1
InChIInChI=1S/C14H15Cl2NO3/c1-2-20-13(19)14(4-3-5-14)12(18)17-11-7-9(15)6-10(16)8-11/h6-8H,2-5H2,1H3,(H,17,18)
InChIKeyUUUXEDQEPAEVEZ-UHFFFAOYSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-(3,5-dichlorophenyl)-1-N-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981521
ethyl 4-[(3,5-dichlorophenyl)carbamoyl]-1,3-dioxolane-4-carboxylate
CID 163379830
N-(3,5-dichlorophenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974230
1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 80591867
N-(3,5-dichlorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971734
ethyl 1-carbonochloridoylcyclobutane-1-carboxylate
CID 19096810
methyl 1-[(3,4-difluorophenyl)carbamoyl]cyclobutane-1-carboxylate
CID 115184233
ethyl 1-carbonobromidoylcyclobutane-1-carboxylate
CID 20826021
N-(3,5-dichlorophenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973199
ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate
CID 175632090
ethyl 1-carbonochloridoylcyclohexane-1-carboxylate
CID 23208979
N-(3-chlorophenyl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 80591517

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3,5-dichlorophenyl)carbamoyl]cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-[(3,5-dichlorophenyl)carbamoyl]cyclobutane-1-carboxylate (CID 19096840) is ethyl 1-[(3,5-dichlorophenyl)carbamoyl]cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(3,5-dichlorophenyl)carbamoyl]cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-[(3,5-dichlorophenyl)carbamoyl]cyclobutane-1-carboxylate is CCOC(=O)C1(C(=O)Nc2cc(Cl)cc(Cl)c2)CCC1.
What is the InChIKey of ethyl 1-[(3,5-dichlorophenyl)carbamoyl]cyclobutane-1-carboxylate?
The InChIKey is UUUXEDQEPAEVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c1-2-20-13(19)14(4-3-5-14)12(18)17-11-7-9(15)6-10(16)8-11/h6-8H,2-5H2,1H3,(H,17,18).
What are the key properties of ethyl 1-[(3,5-dichlorophenyl)carbamoyl]cyclobutane-1-carboxylate?
ethyl 1-[(3,5-dichlorophenyl)carbamoyl]cyclobutane-1-carboxylate has a molecular weight of 316.18 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3,5-dichlorophenyl)carbamoyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 19096840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).