N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide

C14H15BrN2O2 — CID 65151528

IUPACN-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2ccc(N)cc2Br)c1C
InChIInChI=1S/C14H15BrN2O2/c1-7-8(2)19-9(3)13(7)14(18)17-12-5-4-10(16)6-11(12)15/h4-6H,16H2,1-3H3,(H,17,18)
InChIKeyZRUUJLLTEHZWTL-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.80
Rot. Bonds2

About N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide

N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 65151528) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide
PubChem CID65151528
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC NameN-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2ccc(N)cc2Br)c1C
InChIInChI=1S/C14H15BrN2O2/c1-7-8(2)19-9(3)13(7)14(18)17-12-5-4-10(16)6-11(12)15/h4-6H,16H2,1-3H3,(H,17,18)
InChIKeyZRUUJLLTEHZWTL-UHFFFAOYSA-N
XLogP3.80
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-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

(4-amino-2-bromophenyl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65152704
N-(4-amino-2,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 103144443
N-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide
CID 43549570
N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151827
N-(4-amino-2-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818644
N-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151872
N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 107808440
N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199281
N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide
CID 63194298
N-(4-amino-2-bromophenyl)-2-methylbutanamide
CID 43549561
N-(4-amino-2-bromophenyl)-3,5-dimethoxybenzamide
CID 43549583
N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 65151478

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide (CID 65151528) is N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)Nc2ccc(N)cc2Br)c1C.
What is the InChIKey of N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is ZRUUJLLTEHZWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-7-8(2)19-9(3)13(7)14(18)17-12-5-4-10(16)6-11(12)15/h4-6H,16H2,1-3H3,(H,17,18).
What are the key properties of N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide?
N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 65151528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).