N-(3-bromophenyl)-1-cyano-N-methylcyclobutane-1-carboxamide

C13H13BrN2O — CID 115183289

IUPACN-(3-bromophenyl)-1-cyano-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1(C#N)CCC1)c1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O/c1-16(11-5-2-4-10(14)8-11)12(17)13(9-15)6-3-7-13/h2,4-5,8H,3,6-7H2,1H3
InChIKeyFQFYBVUFQFICSR-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.11
Rot. Bonds2

About N-(3-bromophenyl)-1-cyano-N-methylcyclobutane-1-carboxamide

N-(3-bromophenyl)-1-cyano-N-methylcyclobutane-1-carboxamide (PubChem CID 115183289) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-cyano-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-cyano-N-methylcyclobutane-1-carboxamide
PubChem CID115183289
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC NameN-(3-bromophenyl)-1-cyano-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1(C#N)CCC1)c1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O/c1-16(11-5-2-4-10(14)8-11)12(17)13(9-15)6-3-7-13/h2,4-5,8H,3,6-7H2,1H3
InChIKeyFQFYBVUFQFICSR-UHFFFAOYSA-N
XLogP3.11
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-methoxyphenyl)-1-cyano-N-methylcyclobutane-1-carboxamide
CID 115183261
N-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182178
N-(4-bromothiophen-2-yl)-1-cyano-N-methylcyclobutane-1-carboxamide
CID 115183276
1-cyano-N-methyl-N-naphthalen-2-ylcyclopropane-1-carboxamide
CID 115181540
N-(3-bromophenyl)-N-methylcarbamoyl bromide
CID 115193496
N-(3-bromophenyl)-N-methylprop-2-ynamide
CID 130659155
N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide
CID 60678400
N-(3-bromophenyl)-N,2,2-trimethylpropanamide
CID 172560742
N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide
CID 115140581
1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115183397
1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
CID 61461787
2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide
CID 60616456

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-cyano-N-methylcyclobutane-1-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-cyano-N-methylcyclobutane-1-carboxamide (CID 115183289) is N-(3-bromophenyl)-1-cyano-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-cyano-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-cyano-N-methylcyclobutane-1-carboxamide is CN(C(=O)C1(C#N)CCC1)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-1-cyano-N-methylcyclobutane-1-carboxamide?
The InChIKey is FQFYBVUFQFICSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-16(11-5-2-4-10(14)8-11)12(17)13(9-15)6-3-7-13/h2,4-5,8H,3,6-7H2,1H3.
What are the key properties of N-(3-bromophenyl)-1-cyano-N-methylcyclobutane-1-carboxamide?
N-(3-bromophenyl)-1-cyano-N-methylcyclobutane-1-carboxamide has a molecular weight of 293.16 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-cyano-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115183289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).