5-[[(3-bromo-5-propan-2-yloxybenzoyl)amino]methyl]furan-2-carboxylic acid

C16H16BrNO5 — CID 119246089

IUPAC5-[[(3-bromo-5-propan-2-yloxybenzoyl)amino]methyl]furan-2-carboxylic acid
SMILESCC(C)Oc1cc(Br)cc(C(=O)NCc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C16H16BrNO5/c1-9(2)22-13-6-10(5-11(17)7-13)15(19)18-8-12-3-4-14(23-12)16(20)21/h3-7,9H,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyBDHIDXUCXWSXIJ-UHFFFAOYSA-N
MW382.21 g/mol
LogP3.46
Rot. Bonds6

About 5-[[(3-bromo-5-propan-2-yloxybenzoyl)amino]methyl]furan-2-carboxylic acid

5-[[(3-bromo-5-propan-2-yloxybenzoyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 119246089) has the molecular formula C16H16BrNO5 and a molecular weight of 382.21 g/mol. Its IUPAC name is 5-[[(3-bromo-5-propan-2-yloxybenzoyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-bromo-5-propan-2-yloxybenzoyl)amino]methyl]furan-2-carboxylic acid
PubChem CID119246089
Molecular FormulaC16H16BrNO5
Molecular Weight382.21 g/mol
Exact Mass381.02
IUPAC Name5-[[(3-bromo-5-propan-2-yloxybenzoyl)amino]methyl]furan-2-carboxylic acid
SMILESCC(C)Oc1cc(Br)cc(C(=O)NCc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C16H16BrNO5/c1-9(2)22-13-6-10(5-11(17)7-13)15(19)18-8-12-3-4-14(23-12)16(20)21/h3-7,9H,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyBDHIDXUCXWSXIJ-UHFFFAOYSA-N
XLogP3.46
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.21
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[(3-bromo-5-propan-2-yloxybenzoyl)amino]methyl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-propan-2-yloxyanilino)methyl]furan-2-carboxylic acid
CID 63316777
5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527206
2-[(3-bromo-5-propan-2-yloxybenzoyl)amino]butanoic acid
CID 119223842
5-[[(3,4-dihydroxybenzoyl)amino]methyl]furan-2-carboxylic acid
CID 107728163
3-bromo-N-(2-piperazin-1-ylethyl)-5-propan-2-yloxybenzamide
CID 119446488
5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid
CID 119245773
5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 79993469
5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 119245913
5-[(4-bromo-2,6-dimethylanilino)methyl]furan-2-carboxylic acid
CID 55205653
5-[[[4-(2-carboxyethyl)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 57162604
5-[[(3-bromobenzoyl)amino]methyl]furan-2-carboxamide
CID 75423881
5-[[(5-amino-2-bromobenzoyl)amino]methyl]furan-2-carboxylic acid
CID 115297434

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-bromo-5-propan-2-yloxybenzoyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(3-bromo-5-propan-2-yloxybenzoyl)amino]methyl]furan-2-carboxylic acid (CID 119246089) is 5-[[(3-bromo-5-propan-2-yloxybenzoyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(3-bromo-5-propan-2-yloxybenzoyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(3-bromo-5-propan-2-yloxybenzoyl)amino]methyl]furan-2-carboxylic acid is CC(C)Oc1cc(Br)cc(C(=O)NCc2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-[[(3-bromo-5-propan-2-yloxybenzoyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is BDHIDXUCXWSXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO5/c1-9(2)22-13-6-10(5-11(17)7-13)15(19)18-8-12-3-4-14(23-12)16(20)21/h3-7,9H,8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-[[(3-bromo-5-propan-2-yloxybenzoyl)amino]methyl]furan-2-carboxylic acid?
5-[[(3-bromo-5-propan-2-yloxybenzoyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 382.21 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-bromo-5-propan-2-yloxybenzoyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119246089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).