N-(2-amino-4,6-dibromophenyl)-3-(furan-2-yl)propanamide

C13H12Br2N2O2 — CID 43548458

IUPACN-(2-amino-4,6-dibromophenyl)-3-(furan-2-yl)propanamide
SMILESNc1cc(Br)cc(Br)c1NC(=O)CCc1ccco1
InChIInChI=1S/C13H12Br2N2O2/c14-8-6-10(15)13(11(16)7-8)17-12(18)4-3-9-2-1-5-19-9/h1-2,5-7H,3-4,16H2,(H,17,18)
InChIKeyGXRNSEBKSXJTHM-UHFFFAOYSA-N
MW388.06 g/mol
LogP3.96
Rot. Bonds4

About N-(2-amino-4,6-dibromophenyl)-3-(furan-2-yl)propanamide

N-(2-amino-4,6-dibromophenyl)-3-(furan-2-yl)propanamide (PubChem CID 43548458) has the molecular formula C13H12Br2N2O2 and a molecular weight of 388.06 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-3-(furan-2-yl)propanamide
PubChem CID43548458
Molecular FormulaC13H12Br2N2O2
Molecular Weight388.06 g/mol
Exact Mass385.93
IUPAC NameN-(2-amino-4,6-dibromophenyl)-3-(furan-2-yl)propanamide
SMILESNc1cc(Br)cc(Br)c1NC(=O)CCc1ccco1
InChIInChI=1S/C13H12Br2N2O2/c14-8-6-10(15)13(11(16)7-8)17-12(18)4-3-9-2-1-5-19-9/h1-2,5-7H,3-4,16H2,(H,17,18)
InChIKeyGXRNSEBKSXJTHM-UHFFFAOYSA-N
XLogP3.96
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 53.96
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-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide
CID 62909114
4-bromo-3-[3-(furan-2-yl)propanoylamino]benzoic acid
CID 107812592
3,5-dichloro-4-[3-(furan-2-yl)propanoylamino]benzoic acid
CID 82811030
N-(2-amino-4,6-dibromophenyl)-2-(2-methylphenyl)acetamide
CID 43548495
N-[2-bromo-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-(furan-2-yl)propanamide
CID 107790367
N-(2-amino-4,6-dibromophenyl)-2-(2-chlorophenyl)acetamide
CID 43548502
3-(furan-2-yl)-N-(4-sulfamoylphenyl)propanamide
CID 18863026
3-(furan-2-yl)-N-(2-sulfamoylphenyl)propanamide
CID 61130146
3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 107872467
2-[3-(furan-2-yl)propanoylamino]-3-methylbenzoic acid
CID 28778668
N-(2-amino-4,6-dibromophenyl)benzamide
CID 43548444
N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-3-(furan-2-yl)propanamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-3-(furan-2-yl)propanamide (CID 43548458) is N-(2-amino-4,6-dibromophenyl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-3-(furan-2-yl)propanamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-3-(furan-2-yl)propanamide is Nc1cc(Br)cc(Br)c1NC(=O)CCc1ccco1.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-3-(furan-2-yl)propanamide?
The InChIKey is GXRNSEBKSXJTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2/c14-8-6-10(15)13(11(16)7-8)17-12(18)4-3-9-2-1-5-19-9/h1-2,5-7H,3-4,16H2,(H,17,18).
What are the key properties of N-(2-amino-4,6-dibromophenyl)-3-(furan-2-yl)propanamide?
N-(2-amino-4,6-dibromophenyl)-3-(furan-2-yl)propanamide has a molecular weight of 388.06 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 43548458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).