5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide

C16H13ClN2O3 — CID 51303988

IUPAC5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3cc(Cl)ccc3o2)cn1
InChIInChI=1S/C16H13ClN2O3/c1-21-15-5-2-10(8-18-15)9-19-16(20)14-7-11-6-12(17)3-4-13(11)22-14/h2-8H,9H2,1H3,(H,19,20)
InChIKeyDXDCGTYIKJAWEB-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.42
Rot. Bonds4

About 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide

5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 51303988) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID51303988
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3cc(Cl)ccc3o2)cn1
InChIInChI=1S/C16H13ClN2O3/c1-21-15-5-2-10(8-18-15)9-19-16(20)14-7-11-6-12(17)3-4-13(11)22-14/h2-8H,9H2,1H3,(H,19,20)
InChIKeyDXDCGTYIKJAWEB-UHFFFAOYSA-N
XLogP3.42
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9269145
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
2-(2,4-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51303949
1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol
CID 114727014
5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 38294036
5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 62995244
5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 107185089
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-1-benzofuran-2-carboxamide
CID 9036179
2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136692
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 55152846

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide (CID 51303988) is 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide is COc1ccc(CNC(=O)c2cc3cc(Cl)ccc3o2)cn1.
What is the InChIKey of 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is DXDCGTYIKJAWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-21-15-5-2-10(8-18-15)9-19-16(20)14-7-11-6-12(17)3-4-13(11)22-14/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 316.74 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51303988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).