N-(4-amino-2,6-dibromophenyl)-2-methylcyclopropane-1-carboxamide

C11H12Br2N2O — CID 43549410

IUPACN-(4-amino-2,6-dibromophenyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H12Br2N2O/c1-5-2-7(5)11(16)15-10-8(12)3-6(14)4-9(10)13/h3-5,7H,2,14H2,1H3,(H,15,16)
InChIKeyFDYYQOUVESGPTD-UHFFFAOYSA-N
MW348.04 g/mol
LogP3.39
Rot. Bonds2

About N-(4-amino-2,6-dibromophenyl)-2-methylcyclopropane-1-carboxamide

N-(4-amino-2,6-dibromophenyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 43549410) has the molecular formula C11H12Br2N2O and a molecular weight of 348.04 g/mol. Its IUPAC name is N-(4-amino-2,6-dibromophenyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dibromophenyl)-2-methylcyclopropane-1-carboxamide
PubChem CID43549410
Molecular FormulaC11H12Br2N2O
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC NameN-(4-amino-2,6-dibromophenyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H12Br2N2O/c1-5-2-7(5)11(16)15-10-8(12)3-6(14)4-9(10)13/h3-5,7H,2,14H2,1H3,(H,15,16)
InChIKeyFDYYQOUVESGPTD-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.04
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dibromophenyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-amino-2,6-dibromophenyl)-2-methylcyclopropane-1-carboxamide (CID 43549410) is N-(4-amino-2,6-dibromophenyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-amino-2,6-dibromophenyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-amino-2,6-dibromophenyl)-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1c(Br)cc(N)cc1Br.
What is the InChIKey of N-(4-amino-2,6-dibromophenyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is FDYYQOUVESGPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O/c1-5-2-7(5)11(16)15-10-8(12)3-6(14)4-9(10)13/h3-5,7H,2,14H2,1H3,(H,15,16).
What are the key properties of N-(4-amino-2,6-dibromophenyl)-2-methylcyclopropane-1-carboxamide?
N-(4-amino-2,6-dibromophenyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 348.04 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dibromophenyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 43549410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).