1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid

C15H12BrNO4 — CID 115912857

IUPAC1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(C2(C(=O)O)CC2)cc1)c1ccc(Br)o1
InChIInChI=1S/C15H12BrNO4/c16-12-6-5-11(21-12)13(18)17-10-3-1-9(2-4-10)15(7-8-15)14(19)20/h1-6H,7-8H2,(H,17,18)(H,19,20)
InChIKeyQEABRGQSGILMJL-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.41
Rot. Bonds4

About 1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid

1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 115912857) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is 1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid
PubChem CID115912857
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Name1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(C2(C(=O)O)CC2)cc1)c1ccc(Br)o1
InChIInChI=1S/C15H12BrNO4/c16-12-6-5-11(21-12)13(18)17-10-3-1-9(2-4-10)15(7-8-15)14(19)20/h1-6H,7-8H2,(H,17,18)(H,19,20)
InChIKeyQEABRGQSGILMJL-UHFFFAOYSA-N
XLogP3.41
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide
CID 3406026
5-bromo-N-(4-phenylphenyl)furan-2-carboxamide
CID 6624475
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-[(5-bromofuran-2-carbonyl)amino]-2-methylbenzoic acid
CID 63652798
1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 115912936
5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide
CID 2232064
5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 51299744
5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 2989629
5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide
CID 64781074
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid (CID 115912857) is 1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid is O=C(Nc1ccc(C2(C(=O)O)CC2)cc1)c1ccc(Br)o1.
What is the InChIKey of 1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is QEABRGQSGILMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO4/c16-12-6-5-11(21-12)13(18)17-10-3-1-9(2-4-10)15(7-8-15)14(19)20/h1-6H,7-8H2,(H,17,18)(H,19,20).
What are the key properties of 1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 350.17 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115912857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).