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

C21H19NO3 — CID 68838847

IUPAC2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2ccc(C=Cc3ccccc3)cc2)CCC1
InChIInChI=1S/C21H19NO3/c23-20(18-7-4-8-19(18)21(24)25)22-17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,9-14H,4,7-8H2,(H,22,23)(H,24,25)
InChIKeyNPRDVXQRXRYANZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.36
Rot. Bonds5

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

2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 68838847) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID68838847
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2ccc(C=Cc3ccccc3)cc2)CCC1
InChIInChI=1S/C21H19NO3/c23-20(18-7-4-8-19(18)21(24)25)22-17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,9-14H,4,7-8H2,(H,22,23)(H,24,25)
InChIKeyNPRDVXQRXRYANZ-UHFFFAOYSA-N
XLogP4.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid
CID 2812906
2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid
CID 680540
2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 18979882
2-[[4-(4-methoxyanilino)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084788
2-[[4-(2,3-dichlorophenoxy)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 69220103
2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270897
2-[(3,4-dichlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270474
N-[4-(2-phenylethenyl)phenyl]naphthalene-1-carboxamide
CID 23853473
2-fluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 168830160
2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 141369710
2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084833
2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270346

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (CID 68838847) is 2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is O=C(O)C1=C(C(=O)Nc2ccc(C=Cc3ccccc3)cc2)CCC1.
What is the InChIKey of 2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is NPRDVXQRXRYANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-20(18-7-4-8-19(18)21(24)25)22-17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,9-14H,4,7-8H2,(H,22,23)(H,24,25).
What are the key properties of 2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 68838847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).