N-[5-cyano-2-(2-methoxyethoxy)phenyl]-1-benzofuran-3-carboxamide

C19H16N2O4 — CID 75503520

IUPACN-[5-cyano-2-(2-methoxyethoxy)phenyl]-1-benzofuran-3-carboxamide
SMILESCOCCOc1ccc(C#N)cc1NC(=O)c1coc2ccccc12
InChIInChI=1S/C19H16N2O4/c1-23-8-9-24-18-7-6-13(11-20)10-16(18)21-19(22)15-12-25-17-5-3-2-4-14(15)17/h2-7,10,12H,8-9H2,1H3,(H,21,22)
InChIKeyAKEBRDUUQXTCEA-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.58
Rot. Bonds6

About N-[5-cyano-2-(2-methoxyethoxy)phenyl]-1-benzofuran-3-carboxamide

N-[5-cyano-2-(2-methoxyethoxy)phenyl]-1-benzofuran-3-carboxamide (PubChem CID 75503520) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[5-cyano-2-(2-methoxyethoxy)phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-(2-methoxyethoxy)phenyl]-1-benzofuran-3-carboxamide
PubChem CID75503520
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-[5-cyano-2-(2-methoxyethoxy)phenyl]-1-benzofuran-3-carboxamide
SMILESCOCCOc1ccc(C#N)cc1NC(=O)c1coc2ccccc12
InChIInChI=1S/C19H16N2O4/c1-23-8-9-24-18-7-6-13(11-20)10-16(18)21-19(22)15-12-25-17-5-3-2-4-14(15)17/h2-7,10,12H,8-9H2,1H3,(H,21,22)
InChIKeyAKEBRDUUQXTCEA-UHFFFAOYSA-N
XLogP3.58
TPSA84.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide
CID 86788421
N-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide
CID 86815046
4-[[5-cyano-2-(2-methoxyethoxy)phenyl]carbamoyl]morpholine-2-carboxylic acid
CID 154782627
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide
CID 9268804
methyl 5-cyano-2-hydroxybenzoate;methyl 5-cyano-2-(2-methoxyethoxy)benzoate
CID 68720166
N-(4-amino-2,5-dimethylphenyl)-1-benzofuran-3-carboxamide
CID 103144519
5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide
CID 17357158
N-[(4-cyanophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355897
N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide
CID 114315650
methyl 6-[2-benzamido-4-(4-cyanophenyl)phenoxy]hexanoate
CID 54357078
2-[2-(4-cyanophenoxy)ethoxy]-N-methylbenzamide
CID 167745034
N-[(R)-cyano-(2,4-dimethoxyphenyl)methyl]-1-benzofuran-3-carboxamide
CID 97213478

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-(2-methoxyethoxy)phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[5-cyano-2-(2-methoxyethoxy)phenyl]-1-benzofuran-3-carboxamide (CID 75503520) is N-[5-cyano-2-(2-methoxyethoxy)phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[5-cyano-2-(2-methoxyethoxy)phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[5-cyano-2-(2-methoxyethoxy)phenyl]-1-benzofuran-3-carboxamide is COCCOc1ccc(C#N)cc1NC(=O)c1coc2ccccc12.
What is the InChIKey of N-[5-cyano-2-(2-methoxyethoxy)phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is AKEBRDUUQXTCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-23-8-9-24-18-7-6-13(11-20)10-16(18)21-19(22)15-12-25-17-5-3-2-4-14(15)17/h2-7,10,12H,8-9H2,1H3,(H,21,22).
What are the key properties of N-[5-cyano-2-(2-methoxyethoxy)phenyl]-1-benzofuran-3-carboxamide?
N-[5-cyano-2-(2-methoxyethoxy)phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-(2-methoxyethoxy)phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 75503520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).