N-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide

C17H12Br2N2O2 — CID 91687442

IUPACN-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide
SMILESNc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2Br)o1
InChIInChI=1S/C17H12Br2N2O2/c18-10-5-6-14(13(20)9-10)21-17(22)16-8-7-15(23-16)11-3-1-2-4-12(11)19/h1-9H,20H2,(H,21,22)
InChIKeyZDBFBBMFXHKRDJ-UHFFFAOYSA-N
MW436.10 g/mol
LogP5.31
Rot. Bonds3

About N-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide

N-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide (PubChem CID 91687442) has the molecular formula C17H12Br2N2O2 and a molecular weight of 436.10 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide
PubChem CID91687442
Molecular FormulaC17H12Br2N2O2
Molecular Weight436.10 g/mol
Exact Mass433.93
IUPAC NameN-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide
SMILESNc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2Br)o1
InChIInChI=1S/C17H12Br2N2O2/c18-10-5-6-14(13(20)9-10)21-17(22)16-8-7-15(23-16)11-3-1-2-4-12(11)19/h1-9H,20H2,(H,21,22)
InChIKeyZDBFBBMFXHKRDJ-UHFFFAOYSA-N
XLogP5.31
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.10
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-bromophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 91687510
N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 91687495
N-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide
CID 100829833
N-(2-amino-4-bromophenyl)-5-methylfuran-2-carboxamide
CID 43130501
5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide
CID 50882532
N-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 91687558
N-(2-benzoyl-4-bromophenyl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 5262426
N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2238913
N-(2-aminophenyl)-5-(4-bromo-3-methylphenyl)furan-2-carboxamide
CID 91687525
5-(2-bromophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 82124888
N-(4-chloro-2-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 9404808
N-(2-amino-4-hydroxyphenyl)-5-chlorofuran-2-carboxamide
CID 107697705

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide (CID 91687442) is N-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide is Nc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2Br)o1.
What is the InChIKey of N-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide?
The InChIKey is ZDBFBBMFXHKRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2N2O2/c18-10-5-6-14(13(20)9-10)21-17(22)16-8-7-15(23-16)11-3-1-2-4-12(11)19/h1-9H,20H2,(H,21,22).
What are the key properties of N-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide?
N-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide has a molecular weight of 436.10 g/mol, XLogP of 5.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide is sourced from PubChem (CID 91687442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).