3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide

C19H17FN2O3 — CID 7117000

IUPAC3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESCCCC(=O)Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C19H17FN2O3/c1-2-5-16(23)22-17-14-6-3-4-7-15(14)25-18(17)19(24)21-13-10-8-12(20)9-11-13/h3-4,6-11H,2,5H2,1H3,(H,21,24)(H,22,23)
InChIKeyPCJANQPFWUDDQS-UHFFFAOYSA-N
MW340.35 g/mol
LogP4.56
Rot. Bonds5

About 3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide

3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide (PubChem CID 7117000) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
PubChem CID7117000
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESCCCC(=O)Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C19H17FN2O3/c1-2-5-16(23)22-17-14-6-3-4-7-15(14)25-18(17)19(24)21-13-10-8-12(20)9-11-13/h3-4,6-11H,2,5H2,1H3,(H,21,24)(H,22,23)
InChIKeyPCJANQPFWUDDQS-UHFFFAOYSA-N
XLogP4.56
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(butanoylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 7160085
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320
3-(3-chloropropanoylamino)-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7501910
N-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide
CID 142812091
3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 16814568
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970
3-(cyclopentanecarbonylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 3241032
3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide
CID 7501768
N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46300000
N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7204937
3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7159781
N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875357

Frequently Asked Questions

What is the IUPAC name of 3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide (CID 7117000) is 3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide is CCCC(=O)Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12.
What is the InChIKey of 3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is PCJANQPFWUDDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-2-5-16(23)22-17-14-6-3-4-7-15(14)25-18(17)19(24)21-13-10-8-12(20)9-11-13/h3-4,6-11H,2,5H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide?
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7117000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).