N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide

C17H14ClNO4 — CID 7751403

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cc3ccccc3o2)cc1Cl
InChIInChI=1S/C17H14ClNO4/c1-21-14-9-15(22-2)12(8-11(14)18)19-17(20)16-7-10-5-3-4-6-13(10)23-16/h3-9H,1-2H3,(H,19,20)
InChIKeyKMGNBNARIVYNSV-UHFFFAOYSA-N
MW331.76 g/mol
LogP4.36
Rot. Bonds4

About N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide (PubChem CID 7751403) has the molecular formula C17H14ClNO4 and a molecular weight of 331.76 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
PubChem CID7751403
Molecular FormulaC17H14ClNO4
Molecular Weight331.76 g/mol
Exact Mass331.06
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cc3ccccc3o2)cc1Cl
InChIInChI=1S/C17H14ClNO4/c1-21-14-9-15(22-2)12(8-11(14)18)19-17(20)16-7-10-5-3-4-6-13(10)23-16/h3-9H,1-2H3,(H,19,20)
InChIKeyKMGNBNARIVYNSV-UHFFFAOYSA-N
XLogP4.36
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1243980
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 19240981
N-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 3823179
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016051
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 1342731
N-[2-methoxy-4-[(2-phenylacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1349630
N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 823910
N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 8011799
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016176
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 28669452

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide (CID 7751403) is N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide is COc1cc(OC)c(NC(=O)c2cc3ccccc3o2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is KMGNBNARIVYNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4/c1-21-14-9-15(22-2)12(8-11(14)18)19-17(20)16-7-10-5-3-4-6-13(10)23-16/h3-9H,1-2H3,(H,19,20).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 331.76 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7751403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).