5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid

C14H11Cl2NO4 — CID 61023110

IUPAC5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)O
InChIInChI=1S/C14H11Cl2NO4/c1-7-10(14(19)20)5-9(21-7)6-17-13(18)8-2-3-11(15)12(16)4-8/h2-5H,6H2,1H3,(H,17,18)(H,19,20)
InChIKeyUTRVJEBYMFDYBE-UHFFFAOYSA-N
MW328.15 g/mol
LogP3.52
Rot. Bonds4

About 5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 61023110) has the molecular formula C14H11Cl2NO4 and a molecular weight of 328.15 g/mol. Its IUPAC name is 5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID61023110
Molecular FormulaC14H11Cl2NO4
Molecular Weight328.15 g/mol
Exact Mass327.01
IUPAC Name5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)O
InChIInChI=1S/C14H11Cl2NO4/c1-7-10(14(19)20)5-9(21-7)6-17-13(18)8-2-3-11(15)12(16)4-8/h2-5H,6H2,1H3,(H,17,18)(H,19,20)
InChIKeyUTRVJEBYMFDYBE-UHFFFAOYSA-N
XLogP3.52
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-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-[[(3-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 82873027
5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024449
2-methyl-5-[[(2-methylpyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 106752542
5-[[[4-(hydroxymethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024302
5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226494
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633
2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid
CID 112555135
5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024294
2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 114818894
5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226653
5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024297
5-[[[2-chloro-5-(2-methylpropanoylamino)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226496

Frequently Asked Questions

What is the IUPAC name of 5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid (CID 61023110) is 5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)O.
What is the InChIKey of 5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is UTRVJEBYMFDYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4/c1-7-10(14(19)20)5-9(21-7)6-17-13(18)8-2-3-11(15)12(16)4-8/h2-5H,6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 328.15 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 61023110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).