2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

C20H18FNO4 — CID 137436494

IUPAC2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESCOc1ccc(F)c(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)cc2)c1
InChIInChI=1S/C20H18FNO4/c1-26-14-9-10-18(21)17(11-14)12-5-7-13(8-6-12)22-19(23)15-3-2-4-16(15)20(24)25/h5-11H,2-4H2,1H3,(H,22,23)(H,24,25)
InChIKeyIBDODFITCTVTAU-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.00
Rot. Bonds5

About 2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 137436494) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID137436494
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Name2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESCOc1ccc(F)c(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)cc2)c1
InChIInChI=1S/C20H18FNO4/c1-26-14-9-10-18(21)17(11-14)12-5-7-13(8-6-12)22-19(23)15-3-2-4-16(15)20(24)25/h5-11H,2-4H2,1H3,(H,22,23)(H,24,25)
InChIKeyIBDODFITCTVTAU-UHFFFAOYSA-N
XLogP4.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(4-methoxyanilino)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084788
2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084833
6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid
CID 172868745
2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 18979882
3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid
CID 53226516
4-methoxy-N,2-diphenylbenzamide
CID 156739257
[4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid
CID 139391803
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
1-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone
CID 175647166
calcium;bis(2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylate);hydrate
CID 164512938
6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57401328
2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid
CID 2812906

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (CID 137436494) is 2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is COc1ccc(F)c(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)cc2)c1.
What is the InChIKey of 2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is IBDODFITCTVTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-26-14-9-10-18(21)17(11-14)12-5-7-13(8-6-12)22-19(23)15-3-2-4-16(15)20(24)25/h5-11H,2-4H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 355.37 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 137436494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).