2-[[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

C20H15F4NO4 — CID 10454174

IUPAC2-[[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESCOc1ccccc1-c1c(F)c(F)c(NC(=O)C2=C(C(=O)O)CCC2)c(F)c1F
InChIInChI=1S/C20H15F4NO4/c1-29-12-8-3-2-5-11(12)13-14(21)16(23)18(17(24)15(13)22)25-19(26)9-6-4-7-10(9)20(27)28/h2-3,5,8H,4,6-7H2,1H3,(H,25,26)(H,27,28)
InChIKeyHCXILGIDNGULJQ-UHFFFAOYSA-N
MW409.34 g/mol
LogP4.42
Rot. Bonds5

About 2-[[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

2-[[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 10454174) has the molecular formula C20H15F4NO4 and a molecular weight of 409.34 g/mol. Its IUPAC name is 2-[[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID10454174
Molecular FormulaC20H15F4NO4
Molecular Weight409.34 g/mol
Exact Mass409.09
IUPAC Name2-[[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESCOc1ccccc1-c1c(F)c(F)c(NC(=O)C2=C(C(=O)O)CCC2)c(F)c1F
InChIInChI=1S/C20H15F4NO4/c1-29-12-8-3-2-5-11(12)13-14(21)16(23)18(17(24)15(13)22)25-19(26)9-6-4-7-10(9)20(27)28/h2-3,5,8H,4,6-7H2,1H3,(H,25,26)(H,27,28)
InChIKeyHCXILGIDNGULJQ-UHFFFAOYSA-N
XLogP4.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

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CID 9820008
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CID 10342449
2-({[3-Fluoro-3'-(trifluoromethoxy)biphenyl-4-YL]amino}carbonyl)cyclopent-1-ene-1-carboxylic acid
CID 9547914
2-[[2,3,5,6-Tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
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2-[(3-Fluoro-3'-prop-2-yn-1-yloxy[1,1'-biphenyl]-4-yl)carbamoyl]cyclopent-1-ene-1-carboxylic acid
CID 168433291
N-(2,4-difluorophenyl)-2-(2-methoxyphenyl)acetamide
CID 720452
2-[3-[[4-(Trifluoromethyl)phenyl]carbamoylmethyl]-4-methoxybenzyl]butyric acid
CID 9822765
2-(3,5-Difluoro-2''-methoxy-biphenyl-4-ylcarbamoyl)-cyclopent-1-enecarboxylic acid
CID 21084669
2-(3,3''-Dimethoxy-biphenyl-4-ylcarbamoyl)-cyclopent-1-enecarboxylic acid
CID 21084721
2-(3,5-Difluoro-2'',4''-dimethoxy-biphenyl-4-ylcarbamoyl)-cyclopent-1-enecarboxylic acid
CID 21084734
2-(3-Chloro-2''-methoxy-biphenyl-4-ylcarbamoyl)-cyclopent-1-enecarboxylic acid
CID 21084739
2-(3''-Ethoxy-3,5-difluoro-biphenyl-4-ylcarbamoyl)-cyclopent-1-enecarboxylic acid
CID 21084752

Frequently Asked Questions

What is the IUPAC name of 2-[[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (CID 10454174) is 2-[[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is COc1ccccc1-c1c(F)c(F)c(NC(=O)C2=C(C(=O)O)CCC2)c(F)c1F.
What is the InChIKey of 2-[[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is HCXILGIDNGULJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4NO4/c1-29-12-8-3-2-5-11(12)13-14(21)16(23)18(17(24)15(13)22)25-19(26)9-6-4-7-10(9)20(27)28/h2-3,5,8H,4,6-7H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 2-[[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
2-[[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 409.34 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 10454174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).