N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide

C15H17BrN2O — CID 60678400

IUPACN-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)C1(C#N)CCCC1
InChIInChI=1S/C15H17BrN2O/c1-18(10-12-4-6-13(16)7-5-12)14(19)15(11-17)8-2-3-9-15/h4-7H,2-3,8-10H2,1H3
InChIKeyZTEITNCSMXCCCX-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.49
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide

N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide (PubChem CID 60678400) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide
PubChem CID60678400
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)C1(C#N)CCCC1
InChIInChI=1S/C15H17BrN2O/c1-18(10-12-4-6-13(16)7-5-12)14(19)15(11-17)8-2-3-9-15/h4-7H,2-3,8-10H2,1H3
InChIKeyZTEITNCSMXCCCX-UHFFFAOYSA-N
XLogP3.49
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 47413974
1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 78994705
1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 78994564
N-[(4-chlorophenyl)methyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80597882
N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 104985630
N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide
CID 80500969
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 115181647
1-cyano-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 61482749
2-(1-aminocyclopentyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 64683694
1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
CID 115183346
N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide
CID 63130856

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide (CID 60678400) is N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide is CN(Cc1ccc(Br)cc1)C(=O)C1(C#N)CCCC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide?
The InChIKey is ZTEITNCSMXCCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-18(10-12-4-6-13(16)7-5-12)14(19)15(11-17)8-2-3-9-15/h4-7H,2-3,8-10H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide?
N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide has a molecular weight of 321.22 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 60678400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).