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

C20H18ClNO4 — CID 21084739

IUPAC2-[[2-chloro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESCOc1ccccc1-c1ccc(NC(=O)C2=C(C(=O)O)CCC2)c(Cl)c1
InChIInChI=1S/C20H18ClNO4/c1-26-18-8-3-2-5-13(18)12-9-10-17(16(21)11-12)22-19(23)14-6-4-7-15(14)20(24)25/h2-3,5,8-11H,4,6-7H2,1H3,(H,22,23)(H,24,25)
InChIKeyZWGCPICZWQOBLO-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.52
Rot. Bonds5

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

2-[[2-chloro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 21084739) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-[[2-chloro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-chloro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID21084739
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Name2-[[2-chloro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESCOc1ccccc1-c1ccc(NC(=O)C2=C(C(=O)O)CCC2)c(Cl)c1
InChIInChI=1S/C20H18ClNO4/c1-26-18-8-3-2-5-13(18)12-9-10-17(16(21)11-12)22-19(23)14-6-4-7-15(14)20(24)25/h2-3,5,8-11H,4,6-7H2,1H3,(H,22,23)(H,24,25)
InChIKeyZWGCPICZWQOBLO-UHFFFAOYSA-N
XLogP4.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[[2-chloro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (CID 21084739) is 2-[[2-chloro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[[2-chloro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[[2-chloro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is COc1ccccc1-c1ccc(NC(=O)C2=C(C(=O)O)CCC2)c(Cl)c1.
What is the InChIKey of 2-[[2-chloro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is ZWGCPICZWQOBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-26-18-8-3-2-5-13(18)12-9-10-17(16(21)11-12)22-19(23)14-6-4-7-15(14)20(24)25/h2-3,5,8-11H,4,6-7H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[2-chloro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
2-[[2-chloro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 371.82 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 21084739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).