N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide

C14H15BrN2O — CID 51224336

IUPACN-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1(C#N)CCCC1
InChIInChI=1S/C14H15BrN2O/c1-10-8-11(15)4-5-12(10)17-13(18)14(9-16)6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyLCQCNCGCHWJOJV-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.78
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide

N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide (PubChem CID 51224336) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide
PubChem CID51224336
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC NameN-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1(C#N)CCCC1
InChIInChI=1S/C14H15BrN2O/c1-10-8-11(15)4-5-12(10)17-13(18)14(9-16)6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyLCQCNCGCHWJOJV-UHFFFAOYSA-N
XLogP3.78
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458910
N-(4-bromo-2,6-dimethylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 80599432
1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 24696673
1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 51246024
1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 78994720
1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
CID 81484278
N-(2-bromo-5-methylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 82706072
1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 29240891
N-(2-bromo-5-chloro-4-methylphenyl)-1-cyanocycloheptane-1-carboxamide
CID 104723753
N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 80598354
1-amino-N-(4-bromo-2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119682529
N-(3-bromo-5-methylphenyl)-1-cyanocycloheptane-1-carboxamide
CID 107583609

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide (CID 51224336) is N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide is Cc1cc(Br)ccc1NC(=O)C1(C#N)CCCC1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide?
The InChIKey is LCQCNCGCHWJOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-8-11(15)4-5-12(10)17-13(18)14(9-16)6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H,17,18).
What are the key properties of N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide?
N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide has a molecular weight of 307.19 g/mol, XLogP of 3.78, 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-methylphenyl)-1-cyanocyclopentane-1-carboxamide is sourced from PubChem (CID 51224336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).