N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide

C14H13BrN2O3 — CID 761682

IUPACN-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2ccoc2C)cc1Br
InChIInChI=1S/C14H13BrN2O3/c1-9-11(5-6-20-9)14(18)17-16-8-10-3-4-13(19-2)12(15)7-10/h3-8H,1-2H3,(H,17,18)
InChIKeyWQNOFNPMNQKSPF-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.12
Rot. Bonds4

About N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide

N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 761682) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID761682
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2ccoc2C)cc1Br
InChIInChI=1S/C14H13BrN2O3/c1-9-11(5-6-20-9)14(18)17-16-8-10-3-4-13(19-2)12(15)7-10/h3-8H,1-2H3,(H,17,18)
InChIKeyWQNOFNPMNQKSPF-UHFFFAOYSA-N
XLogP3.12
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-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

N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 872797
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 136851848
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 136672376
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide
CID 5450738
2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide
CID 5397551
[2,6-dimethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] acetate
CID 5412697
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 760358
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 135781724
2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide
CID 847605
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 3930747
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 7368869
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 932462

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide (CID 761682) is N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide is COc1ccc(C=NNC(=O)c2ccoc2C)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is WQNOFNPMNQKSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-9-11(5-6-20-9)14(18)17-16-8-10-3-4-13(19-2)12(15)7-10/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 337.17 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 761682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).