3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide

C16H14N2O3 — CID 135358335

IUPAC3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2ccc3oc(C(N)=O)c(N)c3c2)cc1
InChIInChI=1S/C16H14N2O3/c1-20-11-5-2-9(3-6-11)10-4-7-13-12(8-10)14(17)15(21-13)16(18)19/h2-8H,17H2,1H3,(H2,18,19)
InChIKeyDOLVKDZLTYQRDJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.79
Rot. Bonds3

About 3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide

3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide (PubChem CID 135358335) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
PubChem CID135358335
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2ccc3oc(C(N)=O)c(N)c3c2)cc1
InChIInChI=1S/C16H14N2O3/c1-20-11-5-2-9(3-6-11)10-4-7-13-12(8-10)14(17)15(21-13)16(18)19/h2-8H,17H2,1H3,(H2,18,19)
InChIKeyDOLVKDZLTYQRDJ-UHFFFAOYSA-N
XLogP2.79
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-3-propan-2-yloxy-1-benzofuran-2-carboxamide
CID 18963782
2-chloro-4-(4-methoxyphenyl)benzamide
CID 23360610
(3-amino-1-benzofuran-2-yl)-(5-methoxy-1-benzofuran-3-yl)methanone
CID 3140654
(3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone
CID 622395
5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide
CID 174893030
3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide
CID 143084408
1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone
CID 143831160
2-(4-methoxyphenyl)-1-benzofuran-3-amine
CID 102535586
3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
CID 18586175
5-(4-methoxyphenyl)indene-1,2,3-trione
CID 58803268
6-methoxy-4-(4-methoxyphenyl)chromen-2-one
CID 10516997
4-methoxy-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 141073028

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide (CID 135358335) is 3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide is COc1ccc(-c2ccc3oc(C(N)=O)c(N)c3c2)cc1.
What is the InChIKey of 3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is DOLVKDZLTYQRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-11-5-2-9(3-6-11)10-4-7-13-12(8-10)14(17)15(21-13)16(18)19/h2-8H,17H2,1H3,(H2,18,19).
What are the key properties of 3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide?
3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 135358335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).