cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate

C18H18BrNO4 — CID 1407181

IUPACcyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
SMILESO=C(OC1CCCCC1)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C18H18BrNO4/c19-16-11-10-15(24-16)17(21)20-13-8-6-12(7-9-13)18(22)23-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,20,21)
InChIKeyIHEFRXNFEHBKIC-UHFFFAOYSA-N
MW392.25 g/mol
LogP4.78
Rot. Bonds4

About cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate

cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate (PubChem CID 1407181) has the molecular formula C18H18BrNO4 and a molecular weight of 392.25 g/mol. Its IUPAC name is cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namecyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
PubChem CID1407181
Molecular FormulaC18H18BrNO4
Molecular Weight392.25 g/mol
Exact Mass391.04
IUPAC Namecyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
SMILESO=C(OC1CCCCC1)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C18H18BrNO4/c19-16-11-10-15(24-16)17(21)20-13-8-6-12(7-9-13)18(22)23-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,20,21)
InChIKeyIHEFRXNFEHBKIC-UHFFFAOYSA-N
XLogP4.78
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
cyclododecyl 4-acetamidobenzoate
CID 3973983
cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
CID 17128630
5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 51299744
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718
cyclohexyl 4-(pyridine-4-carbonylamino)benzoate
CID 719338
cyclohexyl 4-[(5-bromo-2-chlorobenzoyl)amino]benzoate
CID 17128634
N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide
CID 17199012
cyclohexyl 4-[(2-aminoacetyl)amino]benzoate
CID 110459441
5-bromo-N-cyclopentyloxyfuran-2-carboxamide
CID 83202863
cyclohexyl 4-(dimethylcarbamoylamino)benzoate
CID 110443782
cyclohexyl 4-[(2-phenylacetyl)amino]benzoate
CID 682571

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate?
The IUPAC name of cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate (CID 1407181) is cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate.
What is the SMILES notation for cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate?
The canonical SMILES for cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate is O=C(OC1CCCCC1)c1ccc(NC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate?
The InChIKey is IHEFRXNFEHBKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO4/c19-16-11-10-15(24-16)17(21)20-13-8-6-12(7-9-13)18(22)23-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,20,21).
What are the key properties of cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate?
cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate has a molecular weight of 392.25 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate is sourced from PubChem (CID 1407181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).