2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide

C14H13Br2N3O2 — CID 6039229

IUPAC2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide
SMILESCc1c(Br)cc(NCC(=O)N/N=C/c2ccco2)cc1Br
InChIInChI=1S/C14H13Br2N3O2/c1-9-12(15)5-10(6-13(9)16)17-8-14(20)19-18-7-11-3-2-4-21-11/h2-7,17H,8H2,1H3,(H,19,20)/b18-7+
InChIKeyGNVJYNPTIMDGRL-CNHKJKLMSA-N
MW415.09 g/mol
LogP3.68
Rot. Bonds5

About 2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide

2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide (PubChem CID 6039229) has the molecular formula C14H13Br2N3O2 and a molecular weight of 415.09 g/mol. Its IUPAC name is 2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide
PubChem CID6039229
Molecular FormulaC14H13Br2N3O2
Molecular Weight415.09 g/mol
Exact Mass412.94
IUPAC Name2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide
SMILESCc1c(Br)cc(NCC(=O)N/N=C/c2ccco2)cc1Br
InChIInChI=1S/C14H13Br2N3O2/c1-9-12(15)5-10(6-13(9)16)17-8-14(20)19-18-7-11-3-2-4-21-11/h2-7,17H,8H2,1H3,(H,19,20)/b18-7+
InChIKeyGNVJYNPTIMDGRL-CNHKJKLMSA-N
XLogP3.68
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.09
LogP ≤ 53.68
H-Bond Donors ≤ 52
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 2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide 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

2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404211
2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5426354
2-anilino-N-(furan-2-ylmethylideneamino)acetamide
CID 3757182
2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404241
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 71066400
2-(3,5-dibromo-4-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 3374779
2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
CID 59770955
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide
CID 6834782
2-(2-bromo-4-methylphenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5377482
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide (CID 6039229) is 2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide is Cc1c(Br)cc(NCC(=O)N/N=C/c2ccco2)cc1Br.
What is the InChIKey of 2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide?
The InChIKey is GNVJYNPTIMDGRL-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H13Br2N3O2/c1-9-12(15)5-10(6-13(9)16)17-8-14(20)19-18-7-11-3-2-4-21-11/h2-7,17H,8H2,1H3,(H,19,20)/b18-7+.
What are the key properties of 2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide?
2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide has a molecular weight of 415.09 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6039229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).