2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid

C19H20FNO4 — CID 120821464

IUPAC2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2(c3ccc(F)cc3)CCCC2)cc1C(=O)O
InChIInChI=1S/C19H20FNO4/c1-2-15-14(18(23)24)11-16(25-15)17(22)21-19(9-3-4-10-19)12-5-7-13(20)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,21,22)(H,23,24)
InChIKeySRVQQJVHRKTERL-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.88
Rot. Bonds5

About 2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid

2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid (PubChem CID 120821464) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid
PubChem CID120821464
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2(c3ccc(F)cc3)CCCC2)cc1C(=O)O
InChIInChI=1S/C19H20FNO4/c1-2-15-14(18(23)24)11-16(25-15)17(22)21-19(9-3-4-10-19)12-5-7-13(20)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,21,22)(H,23,24)
InChIKeySRVQQJVHRKTERL-UHFFFAOYSA-N
XLogP3.88
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid
CID 120822379
2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid
CID 120822527
N-[1-(4-fluorophenyl)cyclopentyl]-1-benzofuran-2-carboxamide
CID 51126172
2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid
CID 120821177
2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid
CID 120821091
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
CID 110441487
1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea
CID 110490855
4-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopentyl]benzamide;hydrochloride
CID 119305591
N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide
CID 110477392
2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid
CID 120820629
2-amino-N-[1-(4-fluorophenyl)cyclopentyl]acetamide;hydrochloride
CID 119305589

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid (CID 120821464) is 2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NC2(c3ccc(F)cc3)CCCC2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is SRVQQJVHRKTERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-2-15-14(18(23)24)11-16(25-15)17(22)21-19(9-3-4-10-19)12-5-7-13(20)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 345.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120821464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).