2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide

C21H20ClNO7 — CID 44579692

IUPAC2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCOc1ccc2c(NC(=O)CCl)c(C(=O)c3cc(OC)c(OC)c(OC)c3)oc2c1
InChIInChI=1S/C21H20ClNO7/c1-26-12-5-6-13-14(9-12)30-21(18(13)23-17(24)10-22)19(25)11-7-15(27-2)20(29-4)16(8-11)28-3/h5-9H,10H2,1-4H3,(H,23,24)
InChIKeyGFTHEPQQGPJZRQ-UHFFFAOYSA-N
MW433.84 g/mol
LogP3.88
Rot. Bonds8

About 2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide

2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide (PubChem CID 44579692) has the molecular formula C21H20ClNO7 and a molecular weight of 433.84 g/mol. Its IUPAC name is 2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide
PubChem CID44579692
Molecular FormulaC21H20ClNO7
Molecular Weight433.84 g/mol
Exact Mass433.09
IUPAC Name2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCOc1ccc2c(NC(=O)CCl)c(C(=O)c3cc(OC)c(OC)c(OC)c3)oc2c1
InChIInChI=1S/C21H20ClNO7/c1-26-12-5-6-13-14(9-12)30-21(18(13)23-17(24)10-22)19(25)11-7-15(27-2)20(29-4)16(8-11)28-3/h5-9H,10H2,1-4H3,(H,23,24)
InChIKeyGFTHEPQQGPJZRQ-UHFFFAOYSA-N
XLogP3.88
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.84
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 22592534
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711
(6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226723
[3-(2,3-dihydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-2-yl]-(3,4-dimethoxy-5-methylphenyl)methanone
CID 23549558
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860891
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 19114863
3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide
CID 23148999
(7-methoxy-2-oxochromen-4-yl)methyl 3,4,5-trimethoxybenzoate
CID 3971708
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289355
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711
N-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 6969250
(E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)but-2-enamide
CID 11818142

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide?
The IUPAC name of 2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide (CID 44579692) is 2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide?
The canonical SMILES for 2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide is COc1ccc2c(NC(=O)CCl)c(C(=O)c3cc(OC)c(OC)c(OC)c3)oc2c1.
What is the InChIKey of 2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide?
The InChIKey is GFTHEPQQGPJZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO7/c1-26-12-5-6-13-14(9-12)30-21(18(13)23-17(24)10-22)19(25)11-7-15(27-2)20(29-4)16(8-11)28-3/h5-9H,10H2,1-4H3,(H,23,24).
What are the key properties of 2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide?
2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide has a molecular weight of 433.84 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 44579692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).