2-[[4-(2,3-dichlorophenoxy)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

C19H15Cl2NO4 — CID 69220103

IUPAC2-[[4-(2,3-dichlorophenoxy)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2ccc(Oc3cccc(Cl)c3Cl)cc2)CCC1
InChIInChI=1S/C19H15Cl2NO4/c20-15-5-2-6-16(17(15)21)26-12-9-7-11(8-10-12)22-18(23)13-3-1-4-14(13)19(24)25/h2,5-10H,1,3-4H2,(H,22,23)(H,24,25)
InChIKeyXDZDHNGMTFETGG-UHFFFAOYSA-N
MW392.24 g/mol
LogP5.29
Rot. Bonds5

About 2-[[4-(2,3-dichlorophenoxy)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

2-[[4-(2,3-dichlorophenoxy)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 69220103) has the molecular formula C19H15Cl2NO4 and a molecular weight of 392.24 g/mol. Its IUPAC name is 2-[[4-(2,3-dichlorophenoxy)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(2,3-dichlorophenoxy)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID69220103
Molecular FormulaC19H15Cl2NO4
Molecular Weight392.24 g/mol
Exact Mass391.04
IUPAC Name2-[[4-(2,3-dichlorophenoxy)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2ccc(Oc3cccc(Cl)c3Cl)cc2)CCC1
InChIInChI=1S/C19H15Cl2NO4/c20-15-5-2-6-16(17(15)21)26-12-9-7-11(8-10-12)22-18(23)13-3-1-4-14(13)19(24)25/h2,5-10H,1,3-4H2,(H,22,23)(H,24,25)
InChIKeyXDZDHNGMTFETGG-UHFFFAOYSA-N
XLogP5.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.24
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 68838847
2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084833
N-[4-(2-chlorophenoxy)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18288988
2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084805
2-[[3,5-dichloro-4-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 170054640
N-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide
CID 112820322
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
N-[4-(2-chlorophenoxy)phenyl]-3-methylbut-2-enamide
CID 17488433
N-[4-(2-chlorophenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24575694
2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 137436494

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,3-dichlorophenoxy)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[[4-(2,3-dichlorophenoxy)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (CID 69220103) is 2-[[4-(2,3-dichlorophenoxy)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(2,3-dichlorophenoxy)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[[4-(2,3-dichlorophenoxy)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is O=C(O)C1=C(C(=O)Nc2ccc(Oc3cccc(Cl)c3Cl)cc2)CCC1.
What is the InChIKey of 2-[[4-(2,3-dichlorophenoxy)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is XDZDHNGMTFETGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO4/c20-15-5-2-6-16(17(15)21)26-12-9-7-11(8-10-12)22-18(23)13-3-1-4-14(13)19(24)25/h2,5-10H,1,3-4H2,(H,22,23)(H,24,25).
What are the key properties of 2-[[4-(2,3-dichlorophenoxy)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
2-[[4-(2,3-dichlorophenoxy)phenyl]carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 392.24 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,3-dichlorophenoxy)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 69220103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).