3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide

C18H15N3O7 — CID 43990998

IUPAC3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESCOc1cc(C(=O)Nc2c(C(N)=O)oc3ccccc23)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H15N3O7/c1-26-13-7-10(11(21(24)25)8-14(13)27-2)18(23)20-15-9-5-3-4-6-12(9)28-16(15)17(19)22/h3-8H,1-2H3,(H2,19,22)(H,20,23)
InChIKeyMFFWMQGUJUHQLM-UHFFFAOYSA-N
MW385.33 g/mol
LogP2.71
Rot. Bonds6

About 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide

3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 43990998) has the molecular formula C18H15N3O7 and a molecular weight of 385.33 g/mol. Its IUPAC name is 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
PubChem CID43990998
Molecular FormulaC18H15N3O7
Molecular Weight385.33 g/mol
Exact Mass385.09
IUPAC Name3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESCOc1cc(C(=O)Nc2c(C(N)=O)oc3ccccc23)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H15N3O7/c1-26-13-7-10(11(21(24)25)8-14(13)27-2)18(23)20-15-9-5-3-4-6-12(9)28-16(15)17(19)22/h3-8H,1-2H3,(H2,19,22)(H,20,23)
InChIKeyMFFWMQGUJUHQLM-UHFFFAOYSA-N
XLogP2.71
TPSA146.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-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

3-[(4-methyl-3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7385755
3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 3517374
3-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 17409565
3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7266821
N-(4-bromophenyl)-4,5-dimethoxy-2-nitrobenzamide
CID 1350567
2-[2-(4,5-dimethoxy-2-nitrobenzoyl)hydrazinyl]-2-oxoacetamide
CID 3469130
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-nitrobenzamide
CID 1423526
ethyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxylate
CID 7117067
4,5-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide
CID 884052
4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide
CID 17397142
ethyl 3-[(5-chloro-2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117043
5-methoxy-4-(2-methoxyethoxy)-N-[4-(2-methoxyphenoxy)phenyl]-2-nitrobenzamide
CID 24563404

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide (CID 43990998) is 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide is COc1cc(C(=O)Nc2c(C(N)=O)oc3ccccc23)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is MFFWMQGUJUHQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O7/c1-26-13-7-10(11(21(24)25)8-14(13)27-2)18(23)20-15-9-5-3-4-6-12(9)28-16(15)17(19)22/h3-8H,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide?
3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 385.33 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43990998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).