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

C20H17F2NO4 — CID 21084669

IUPAC2-[[2,6-difluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESCOc1ccccc1-c1cc(F)c(NC(=O)C2=C(C(=O)O)CCC2)c(F)c1
InChIInChI=1S/C20H17F2NO4/c1-27-17-8-3-2-5-12(17)11-9-15(21)18(16(22)10-11)23-19(24)13-6-4-7-14(13)20(25)26/h2-3,5,8-10H,4,6-7H2,1H3,(H,23,24)(H,25,26)
InChIKeyOVKNEBRXQLZHFQ-UHFFFAOYSA-N
MW373.36 g/mol
LogP4.14
Rot. Bonds5

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

2-[[2,6-difluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 21084669) has the molecular formula C20H17F2NO4 and a molecular weight of 373.36 g/mol. Its IUPAC name is 2-[[2,6-difluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2,6-difluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID21084669
Molecular FormulaC20H17F2NO4
Molecular Weight373.36 g/mol
Exact Mass373.11
IUPAC Name2-[[2,6-difluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESCOc1ccccc1-c1cc(F)c(NC(=O)C2=C(C(=O)O)CCC2)c(F)c1
InChIInChI=1S/C20H17F2NO4/c1-27-17-8-3-2-5-12(17)11-9-15(21)18(16(22)10-11)23-19(24)13-6-4-7-14(13)20(25)26/h2-3,5,8-10H,4,6-7H2,1H3,(H,23,24)(H,25,26)
InChIKeyOVKNEBRXQLZHFQ-UHFFFAOYSA-N
XLogP4.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-(2-methoxyphenyl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
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2-[[2,3,5,6-Tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 10457096
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
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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
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Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-difluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[[2,6-difluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (CID 21084669) is 2-[[2,6-difluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[[2,6-difluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[[2,6-difluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is COc1ccccc1-c1cc(F)c(NC(=O)C2=C(C(=O)O)CCC2)c(F)c1.
What is the InChIKey of 2-[[2,6-difluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is OVKNEBRXQLZHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO4/c1-27-17-8-3-2-5-12(17)11-9-15(21)18(16(22)10-11)23-19(24)13-6-4-7-14(13)20(25)26/h2-3,5,8-10H,4,6-7H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[[2,6-difluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
2-[[2,6-difluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 373.36 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-difluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 21084669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).