2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid

C20H16F3NO4 — CID 21084833

IUPAC2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CCC1
InChIInChI=1S/C20H16F3NO4/c21-20(22,23)28-15-10-6-13(7-11-15)12-4-8-14(9-5-12)24-18(25)16-2-1-3-17(16)19(26)27/h4-11H,1-3H2,(H,24,25)(H,26,27)
InChIKeyVOYZABFVDACRML-UHFFFAOYSA-N
MW391.35 g/mol
LogP4.76
Rot. Bonds5

About 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid

2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 21084833) has the molecular formula C20H16F3NO4 and a molecular weight of 391.35 g/mol. Its IUPAC name is 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID21084833
Molecular FormulaC20H16F3NO4
Molecular Weight391.35 g/mol
Exact Mass391.10
IUPAC Name2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CCC1
InChIInChI=1S/C20H16F3NO4/c21-20(22,23)28-15-10-6-13(7-11-15)12-4-8-14(9-5-12)24-18(25)16-2-1-3-17(16)19(26)27/h4-11H,1-3H2,(H,24,25)(H,26,27)
InChIKeyVOYZABFVDACRML-UHFFFAOYSA-N
XLogP4.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-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

2-[[2-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084763
2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 137436494
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 23633123
N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 30684530
2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 18979882
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 68838847
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid (CID 21084833) is 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid is O=C(O)C1=C(C(=O)Nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CCC1.
What is the InChIKey of 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is VOYZABFVDACRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO4/c21-20(22,23)28-15-10-6-13(7-11-15)12-4-8-14(9-5-12)24-18(25)16-2-1-3-17(16)19(26)27/h4-11H,1-3H2,(H,24,25)(H,26,27).
What are the key properties of 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 391.35 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 21084833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).