1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid

C15H14FNO4 — CID 81164307

IUPAC1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1c(C(=O)NC2(C(=O)O)CCC2)oc2ccc(F)cc12
InChIInChI=1S/C15H14FNO4/c1-8-10-7-9(16)3-4-11(10)21-12(8)13(18)17-15(14(19)20)5-2-6-15/h3-4,7H,2,5-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyCSIVYVZHECIXDT-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.62
Rot. Bonds3

About 1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81164307) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is 1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81164307
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1c(C(=O)NC2(C(=O)O)CCC2)oc2ccc(F)cc12
InChIInChI=1S/C15H14FNO4/c1-8-10-7-9(16)3-4-11(10)21-12(8)13(18)17-15(14(19)20)5-2-6-15/h3-4,7H,2,5-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyCSIVYVZHECIXDT-UHFFFAOYSA-N
XLogP2.62
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43351135
2-[4-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215542
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid
CID 60708400
1-[(3,7-dimethyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176798
N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 65112503
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242438
5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79675667
N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344604
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241803
5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103774296
5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide
CID 17441780

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81164307) is 1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid is Cc1c(C(=O)NC2(C(=O)O)CCC2)oc2ccc(F)cc12.
What is the InChIKey of 1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is CSIVYVZHECIXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-8-10-7-9(16)3-4-11(10)21-12(8)13(18)17-15(14(19)20)5-2-6-15/h3-4,7H,2,5-6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 291.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81164307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).