4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide

C18H19BrN2O7 — CID 108763257

IUPAC4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide
SMILESCOc1cc(C(=O)Nc2oc(C)c(C(C)=O)c2C(N)=O)c(Br)c(OC)c1OC
InChIInChI=1S/C18H19BrN2O7/c1-7(22)11-8(2)28-18(12(11)16(20)23)21-17(24)9-6-10(25-3)14(26-4)15(27-5)13(9)19/h6H,1-5H3,(H2,20,23)(H,21,24)
InChIKeyPURPLRAFHRWSQW-UHFFFAOYSA-N
MW455.26 g/mol
LogP2.93
Rot. Bonds7

About 4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide

4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide (PubChem CID 108763257) has the molecular formula C18H19BrN2O7 and a molecular weight of 455.26 g/mol. Its IUPAC name is 4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide
PubChem CID108763257
Molecular FormulaC18H19BrN2O7
Molecular Weight455.26 g/mol
Exact Mass454.04
IUPAC Name4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide
SMILESCOc1cc(C(=O)Nc2oc(C)c(C(C)=O)c2C(N)=O)c(Br)c(OC)c1OC
InChIInChI=1S/C18H19BrN2O7/c1-7(22)11-8(2)28-18(12(11)16(20)23)21-17(24)9-6-10(25-3)14(26-4)15(27-5)13(9)19/h6H,1-5H3,(H2,20,23)(H,21,24)
InChIKeyPURPLRAFHRWSQW-UHFFFAOYSA-N
XLogP2.93
TPSA130.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.26
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxylate
CID 108763545
4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763231
4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763285
2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide
CID 19171551
4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide
CID 108740663
2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide
CID 19171527
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide
CID 1190293
4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide
CID 108782861
diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate
CID 108762104
ethyl 4-acetyl-5-methyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]furan-3-carboxylate
CID 108763592
2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 19171553
2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 53267535

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide?
The IUPAC name of 4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide (CID 108763257) is 4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide.
What is the SMILES notation for 4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide?
The canonical SMILES for 4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide is COc1cc(C(=O)Nc2oc(C)c(C(C)=O)c2C(N)=O)c(Br)c(OC)c1OC.
What is the InChIKey of 4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide?
The InChIKey is PURPLRAFHRWSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O7/c1-7(22)11-8(2)28-18(12(11)16(20)23)21-17(24)9-6-10(25-3)14(26-4)15(27-5)13(9)19/h6H,1-5H3,(H2,20,23)(H,21,24).
What are the key properties of 4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide?
4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide has a molecular weight of 455.26 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 108763257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).