N-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide

C14H13BrN2O4 — CID 1102193

IUPACN-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1cc(C=NNC(=O)c2ccco2)cc(Br)c1OC
InChIInChI=1S/C14H13BrN2O4/c1-19-12-7-9(6-10(15)13(12)20-2)8-16-17-14(18)11-4-3-5-21-11/h3-8H,1-2H3,(H,17,18)
InChIKeyLRCHKTUBEQLDLR-UHFFFAOYSA-N
MW353.17 g/mol
LogP2.82
Rot. Bonds5

About N-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide

N-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 1102193) has the molecular formula C14H13BrN2O4 and a molecular weight of 353.17 g/mol. Its IUPAC name is N-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID1102193
Molecular FormulaC14H13BrN2O4
Molecular Weight353.17 g/mol
Exact Mass352.01
IUPAC NameN-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1cc(C=NNC(=O)c2ccco2)cc(Br)c1OC
InChIInChI=1S/C14H13BrN2O4/c1-19-12-7-9(6-10(15)13(12)20-2)8-16-17-14(18)11-4-3-5-21-11/h3-8H,1-2H3,(H,17,18)
InChIKeyLRCHKTUBEQLDLR-UHFFFAOYSA-N
XLogP2.82
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-4,5-dimethoxyphenyl)methylideneamino]furan-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

N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 135642156
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 7231244
N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 137035489
N'-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 8900540
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657742
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide
CID 21370277
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1389238
1-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-(4-chlorophenyl)urea
CID 110531661
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126320857
N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 96883251
N-[(Z)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 92851172
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658848

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide (CID 1102193) is N-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide is COc1cc(C=NNC(=O)c2ccco2)cc(Br)c1OC.
What is the InChIKey of N-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is LRCHKTUBEQLDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4/c1-19-12-7-9(6-10(15)13(12)20-2)8-16-17-14(18)11-4-3-5-21-11/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide?
N-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 353.17 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 1102193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).