N-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide

C12H11BrN2O — CID 81498745

IUPACN-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C12H11BrN2O/c1-7-4-10(7)12(16)15-11-3-2-9(13)5-8(11)6-14/h2-3,5,7,10H,4H2,1H3,(H,15,16)
InChIKeyRIJRJQRNNUAGAP-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.92
Rot. Bonds2

About N-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide

N-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 81498745) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide
PubChem CID81498745
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC NameN-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C12H11BrN2O/c1-7-4-10(7)12(16)15-11-3-2-9(13)5-8(11)6-14/h2-3,5,7,10H,4H2,1H3,(H,15,16)
InChIKeyRIJRJQRNNUAGAP-UHFFFAOYSA-N
XLogP2.92
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide (CID 81498745) is N-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1ccc(Br)cc1C#N.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is RIJRJQRNNUAGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-7-4-10(7)12(16)15-11-3-2-9(13)5-8(11)6-14/h2-3,5,7,10H,4H2,1H3,(H,15,16).
What are the key properties of N-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide?
N-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 279.14 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 81498745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).