N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide

C18H16N2O3 — CID 123325602

IUPACN-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2o1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C18H16N2O3/c1-11(12-6-8-13(9-7-12)17(19)21)20-18(22)16-10-14-4-2-3-5-15(14)23-16/h2-11H,1H3,(H2,19,21)(H,20,22)
InChIKeyPGRJOUPBHZKXCR-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.02
Rot. Bonds4

About N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide

N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 123325602) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID123325602
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2o1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C18H16N2O3/c1-11(12-6-8-13(9-7-12)17(19)21)20-18(22)16-10-14-4-2-3-5-15(14)23-16/h2-11H,1H3,(H2,19,21)(H,20,22)
InChIKeyPGRJOUPBHZKXCR-UHFFFAOYSA-N
XLogP3.02
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745
N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide
CID 177139933
N-[1-(4-carbamoylphenyl)-2,2,2-trifluoroethyl]-1-benzofuran-2-carboxamide
CID 123923221
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 133190853
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 133189144
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
N-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 47111565
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
4-[[3-(1-benzofuran-2-yl)-3-oxopropyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 26415206
N-(1-cyanoethyl)-1-benzofuran-2-carboxamide
CID 61119262

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide (CID 123325602) is N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide is CC(NC(=O)c1cc2ccccc2o1)c1ccc(C(N)=O)cc1.
What is the InChIKey of N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is PGRJOUPBHZKXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11(12-6-8-13(9-7-12)17(19)21)20-18(22)16-10-14-4-2-3-5-15(14)23-16/h2-11H,1H3,(H2,19,21)(H,20,22).
What are the key properties of N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide?
N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 123325602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).