2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid

C18H11ClFNO3S — CID 67052256

IUPAC2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C18H11ClFNO3S/c19-12-5-1-10(2-6-12)16-15(18(23)24)14(9-25-16)21-17(22)11-3-7-13(20)8-4-11/h1-9H,(H,21,22)(H,23,24)
InChIKeyUXEMAXPYEMRVPM-UHFFFAOYSA-N
MW375.81 g/mol
LogP5.16
Rot. Bonds4

About 2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid

2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid (PubChem CID 67052256) has the molecular formula C18H11ClFNO3S and a molecular weight of 375.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid
PubChem CID67052256
Molecular FormulaC18H11ClFNO3S
Molecular Weight375.81 g/mol
Exact Mass375.01
IUPAC Name2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C18H11ClFNO3S/c19-12-5-1-10(2-6-12)16-15(18(23)24)14(9-25-16)21-17(22)11-3-7-13(20)8-4-11/h1-9H,(H,21,22)(H,23,24)
InChIKeyUXEMAXPYEMRVPM-UHFFFAOYSA-N
XLogP5.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.81
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid (CID 67052256) is 2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid is O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid?
The InChIKey is UXEMAXPYEMRVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFNO3S/c19-12-5-1-10(2-6-12)16-15(18(23)24)14(9-25-16)21-17(22)11-3-7-13(20)8-4-11/h1-9H,(H,21,22)(H,23,24).
What are the key properties of 2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid?
2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid has a molecular weight of 375.81 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 67052256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).