2-[[2-(4-methoxyphenyl)-1-benzofuran-5-carbonyl]amino]ethylphosphonic acid

C18H18NO6P — CID 102130870

IUPAC2-[[2-(4-methoxyphenyl)-1-benzofuran-5-carbonyl]amino]ethylphosphonic acid
SMILESCOc1ccc(-c2cc3cc(C(=O)NCCP(=O)(O)O)ccc3o2)cc1
InChIInChI=1S/C18H18NO6P/c1-24-15-5-2-12(3-6-15)17-11-14-10-13(4-7-16(14)25-17)18(20)19-8-9-26(21,22)23/h2-7,10-11H,8-9H2,1H3,(H,19,20)(H2,21,22,23)
InChIKeyAXIRAXKDQLMKTM-UHFFFAOYSA-N
MW375.32 g/mol
LogP3.02
Rot. Bonds6

About 2-[[2-(4-methoxyphenyl)-1-benzofuran-5-carbonyl]amino]ethylphosphonic acid

2-[[2-(4-methoxyphenyl)-1-benzofuran-5-carbonyl]amino]ethylphosphonic acid (PubChem CID 102130870) has the molecular formula C18H18NO6P and a molecular weight of 375.32 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)-1-benzofuran-5-carbonyl]amino]ethylphosphonic acid.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)-1-benzofuran-5-carbonyl]amino]ethylphosphonic acid
PubChem CID102130870
Molecular FormulaC18H18NO6P
Molecular Weight375.32 g/mol
Exact Mass375.09
IUPAC Name2-[[2-(4-methoxyphenyl)-1-benzofuran-5-carbonyl]amino]ethylphosphonic acid
SMILESCOc1ccc(-c2cc3cc(C(=O)NCCP(=O)(O)O)ccc3o2)cc1
InChIInChI=1S/C18H18NO6P/c1-24-15-5-2-12(3-6-15)17-11-14-10-13(4-7-16(14)25-17)18(20)19-8-9-26(21,22)23/h2-7,10-11H,8-9H2,1H3,(H,19,20)(H2,21,22,23)
InChIKeyAXIRAXKDQLMKTM-UHFFFAOYSA-N
XLogP3.02
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate
CID 67551871
N-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide
CID 72924667
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
2-(4-methoxyphenyl)-5-phenyl-1-benzofuran
CID 66549379
2-[[4-[1-[4-(1-benzofuran-2-yl)anilino]-1-oxooctan-2-yl]oxybenzoyl]amino]ethyl-methylphosphinic acid
CID 90139564
N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]-4-methoxybenzamide
CID 110314743
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methyl-1-benzofuran-5-carboxamide
CID 46964110
5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500985
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765255

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)-1-benzofuran-5-carbonyl]amino]ethylphosphonic acid?
The IUPAC name of 2-[[2-(4-methoxyphenyl)-1-benzofuran-5-carbonyl]amino]ethylphosphonic acid (CID 102130870) is 2-[[2-(4-methoxyphenyl)-1-benzofuran-5-carbonyl]amino]ethylphosphonic acid.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)-1-benzofuran-5-carbonyl]amino]ethylphosphonic acid?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)-1-benzofuran-5-carbonyl]amino]ethylphosphonic acid is COc1ccc(-c2cc3cc(C(=O)NCCP(=O)(O)O)ccc3o2)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)-1-benzofuran-5-carbonyl]amino]ethylphosphonic acid?
The InChIKey is AXIRAXKDQLMKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18NO6P/c1-24-15-5-2-12(3-6-15)17-11-14-10-13(4-7-16(14)25-17)18(20)19-8-9-26(21,22)23/h2-7,10-11H,8-9H2,1H3,(H,19,20)(H2,21,22,23).
What are the key properties of 2-[[2-(4-methoxyphenyl)-1-benzofuran-5-carbonyl]amino]ethylphosphonic acid?
2-[[2-(4-methoxyphenyl)-1-benzofuran-5-carbonyl]amino]ethylphosphonic acid has a molecular weight of 375.32 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)-1-benzofuran-5-carbonyl]amino]ethylphosphonic acid is sourced from PubChem (CID 102130870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).