2-[[4-(5-chlorothiophen-2-yl)-2-fluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid

C17H13ClFNO3S — CID 68838930

IUPAC2-[[4-(5-chlorothiophen-2-yl)-2-fluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2ccc(-c3ccc(Cl)s3)cc2F)CCC1
InChIInChI=1S/C17H13ClFNO3S/c18-15-7-6-14(24-15)9-4-5-13(12(19)8-9)20-16(21)10-2-1-3-11(10)17(22)23/h4-8H,1-3H2,(H,20,21)(H,22,23)
InChIKeyYMGLQMAKLPIRJD-UHFFFAOYSA-N
MW365.81 g/mol
LogP4.71
Rot. Bonds4

About 2-[[4-(5-chlorothiophen-2-yl)-2-fluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid

2-[[4-(5-chlorothiophen-2-yl)-2-fluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 68838930) has the molecular formula C17H13ClFNO3S and a molecular weight of 365.81 g/mol. Its IUPAC name is 2-[[4-(5-chlorothiophen-2-yl)-2-fluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(5-chlorothiophen-2-yl)-2-fluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID68838930
Molecular FormulaC17H13ClFNO3S
Molecular Weight365.81 g/mol
Exact Mass365.03
IUPAC Name2-[[4-(5-chlorothiophen-2-yl)-2-fluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2ccc(-c3ccc(Cl)s3)cc2F)CCC1
InChIInChI=1S/C17H13ClFNO3S/c18-15-7-6-14(24-15)9-4-5-13(12(19)8-9)20-16(21)10-2-1-3-11(10)17(22)23/h4-8H,1-3H2,(H,20,21)(H,22,23)
InChIKeyYMGLQMAKLPIRJD-UHFFFAOYSA-N
XLogP4.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chlorothiophen-2-yl)-2-fluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[[4-(5-chlorothiophen-2-yl)-2-fluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid (CID 68838930) is 2-[[4-(5-chlorothiophen-2-yl)-2-fluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(5-chlorothiophen-2-yl)-2-fluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[[4-(5-chlorothiophen-2-yl)-2-fluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid is O=C(O)C1=C(C(=O)Nc2ccc(-c3ccc(Cl)s3)cc2F)CCC1.
What is the InChIKey of 2-[[4-(5-chlorothiophen-2-yl)-2-fluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is YMGLQMAKLPIRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO3S/c18-15-7-6-14(24-15)9-4-5-13(12(19)8-9)20-16(21)10-2-1-3-11(10)17(22)23/h4-8H,1-3H2,(H,20,21)(H,22,23).
What are the key properties of 2-[[4-(5-chlorothiophen-2-yl)-2-fluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid?
2-[[4-(5-chlorothiophen-2-yl)-2-fluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 365.81 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chlorothiophen-2-yl)-2-fluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 68838930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).