4-acetyl-1-[4-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid

C14H11F2NO4 — CID 114602984

IUPAC4-acetyl-1-[4-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)n(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C14H11F2NO4/c1-8(18)9-6-12(13(19)20)17(7-9)10-2-4-11(5-3-10)21-14(15)16/h2-7,14H,1H3,(H,19,20)
InChIKeyZWQZYLOFLXYYDC-UHFFFAOYSA-N
MW295.24 g/mol
LogP2.98
Rot. Bonds5

About 4-acetyl-1-[4-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid

4-acetyl-1-[4-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid (PubChem CID 114602984) has the molecular formula C14H11F2NO4 and a molecular weight of 295.24 g/mol. Its IUPAC name is 4-acetyl-1-[4-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-acetyl-1-[4-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid
PubChem CID114602984
Molecular FormulaC14H11F2NO4
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Name4-acetyl-1-[4-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)n(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C14H11F2NO4/c1-8(18)9-6-12(13(19)20)17(7-9)10-2-4-11(5-3-10)21-14(15)16/h2-7,14H,1H3,(H,19,20)
InChIKeyZWQZYLOFLXYYDC-UHFFFAOYSA-N
XLogP2.98
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-1-[4-(difluoromethoxy)phenyl]pyrrole-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

4-acetyl-1-(4-ethylphenyl)pyrrole-2-carboxylic acid
CID 114603121
4-acetyl-1-(4-chloro-3-methoxyphenyl)pyrrole-2-carboxylic acid
CID 107622788
4-[3-cyano-5-(difluoromethoxy)indol-1-yl]benzoic acid
CID 58437516
4-acetyl-1-methylpyrrole-2-carboxylic acid
CID 2764240
1-[4-(difluoromethoxy)phenyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 163209351
[4-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methanone
CID 114972533
3-[4-(difluoromethoxy)phenyl]benzoic acid
CID 71025160
2-[3,4-dichloro-1-[4-(difluoromethoxy)phenyl]pyrrol-2-yl]-2-oxoacetaldehyde
CID 174395103
(4-acetylphenyl) 3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 4813382
1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen
CID 162436996
1-[4-(difluoromethoxy)phenyl]-5-ethyltriazole-4-carboxylic acid
CID 43328693
5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid
CID 155311271

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-[4-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid?
The IUPAC name of 4-acetyl-1-[4-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid (CID 114602984) is 4-acetyl-1-[4-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-acetyl-1-[4-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 4-acetyl-1-[4-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid is CC(=O)c1cc(C(=O)O)n(-c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 4-acetyl-1-[4-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid?
The InChIKey is ZWQZYLOFLXYYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4/c1-8(18)9-6-12(13(19)20)17(7-9)10-2-4-11(5-3-10)21-14(15)16/h2-7,14H,1H3,(H,19,20).
What are the key properties of 4-acetyl-1-[4-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid?
4-acetyl-1-[4-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid has a molecular weight of 295.24 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-[4-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 114602984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).