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

C14H12BrNO4 — CID 703718

IUPACethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H12BrNO4/c1-2-19-14(18)9-3-5-10(6-4-9)16-13(17)11-7-8-12(15)20-11/h3-8H,2H2,1H3,(H,16,17)
InChIKeyUGFAXFSDEMPHGU-UHFFFAOYSA-N
MW338.16 g/mol
LogP3.47
Rot. Bonds4

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

ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate (PubChem CID 703718) has the molecular formula C14H12BrNO4 and a molecular weight of 338.16 g/mol. Its IUPAC name is ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
PubChem CID703718
Molecular FormulaC14H12BrNO4
Molecular Weight338.16 g/mol
Exact Mass336.99
IUPAC Nameethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H12BrNO4/c1-2-19-14(18)9-3-5-10(6-4-9)16-13(17)11-7-8-12(15)20-11/h3-8H,2H2,1H3,(H,16,17)
InChIKeyUGFAXFSDEMPHGU-UHFFFAOYSA-N
XLogP3.47
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-[[2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetyl]amino]benzoate
CID 55789898
ethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 4932656
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46489816
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249
5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide
CID 55991446
cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 1407181
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate
CID 28748768
ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate
CID 7113437
5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide
CID 17070827

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate (CID 703718) is ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate?
The InChIKey is UGFAXFSDEMPHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4/c1-2-19-14(18)9-3-5-10(6-4-9)16-13(17)11-7-8-12(15)20-11/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate?
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate has a molecular weight of 338.16 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate is sourced from PubChem (CID 703718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).