5-[[[2-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid

C16H14BrNO4 — CID 119246233

IUPAC5-[[[2-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)C2CC2c2ccc(Br)cc2)o1
InChIInChI=1S/C16H14BrNO4/c17-10-3-1-9(2-4-10)12-7-13(12)15(19)18-8-11-5-6-14(22-11)16(20)21/h1-6,12-13H,7-8H2,(H,18,19)(H,20,21)
InChIKeyMUKLAWULXGEDSN-UHFFFAOYSA-N
MW364.20 g/mol
LogP3.16
Rot. Bonds5

About 5-[[[2-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid

5-[[[2-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 119246233) has the molecular formula C16H14BrNO4 and a molecular weight of 364.20 g/mol. Its IUPAC name is 5-[[[2-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
PubChem CID119246233
Molecular FormulaC16H14BrNO4
Molecular Weight364.20 g/mol
Exact Mass363.01
IUPAC Name5-[[[2-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)C2CC2c2ccc(Br)cc2)o1
InChIInChI=1S/C16H14BrNO4/c17-10-3-1-9(2-4-10)12-7-13(12)15(19)18-8-11-5-6-14(22-11)16(20)21/h1-6,12-13H,7-8H2,(H,18,19)(H,20,21)
InChIKeyMUKLAWULXGEDSN-UHFFFAOYSA-N
XLogP3.16
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
CID 119246168
5-[[[(1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 90653945
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide
CID 24588410
5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid
CID 119245737
5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 129467906
cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide
CID 129348369
methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95271586
trans-(1R,2R)-2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide
CID 94798725
2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide
CID 47089784
cis-(1R,2S)-2-(4-bromophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 94801668
5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 104914288
5-[[[(2R,3S)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 125131790

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid (CID 119246233) is 5-[[[2-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CNC(=O)C2CC2c2ccc(Br)cc2)o1.
What is the InChIKey of 5-[[[2-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is MUKLAWULXGEDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO4/c17-10-3-1-9(2-4-10)12-7-13(12)15(19)18-8-11-5-6-14(22-11)16(20)21/h1-6,12-13H,7-8H2,(H,18,19)(H,20,21).
What are the key properties of 5-[[[2-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 364.20 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119246233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).