7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide

C21H17NO3 — CID 40888860

IUPAC7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3cccc4ccccc34)oc12
InChIInChI=1S/C21H17NO3/c1-2-24-18-12-6-9-15-13-19(25-20(15)18)21(23)22-17-11-5-8-14-7-3-4-10-16(14)17/h3-13H,2H2,1H3,(H,22,23)
InChIKeyUHKYHGJNEQFDNS-UHFFFAOYSA-N
MW331.37 g/mol
LogP5.24
Rot. Bonds4

About 7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide

7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide (PubChem CID 40888860) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
PubChem CID40888860
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3cccc4ccccc34)oc12
InChIInChI=1S/C21H17NO3/c1-2-24-18-12-6-9-15-13-19(25-20(15)18)21(23)22-17-11-5-8-14-7-3-4-10-16(14)17/h3-13H,2H2,1H3,(H,22,23)
InChIKeyUHKYHGJNEQFDNS-UHFFFAOYSA-N
XLogP5.24
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.37
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888863
8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide
CID 19574031
methyl 3-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate
CID 40888787
7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 40946707
7-ethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888778
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888822
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888792
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888894
7-methoxy-N-(2-propan-2-yloxyphenyl)-1-benzofuran-2-carboxamide
CID 53281729
N-[4-(1H-benzimidazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888779

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide (CID 40888860) is 7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide is CCOc1cccc2cc(C(=O)Nc3cccc4ccccc34)oc12.
What is the InChIKey of 7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide?
The InChIKey is UHKYHGJNEQFDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-2-24-18-12-6-9-15-13-19(25-20(15)18)21(23)22-17-11-5-8-14-7-3-4-10-16(14)17/h3-13H,2H2,1H3,(H,22,23).
What are the key properties of 7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide?
7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40888860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).