N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide

C15H21BrN2O — CID 81112557

IUPACN-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide
SMILESCc1ccc(Br)c(C(=O)N(C)C2CCCC2CN)c1
InChIInChI=1S/C15H21BrN2O/c1-10-6-7-13(16)12(8-10)15(19)18(2)14-5-3-4-11(14)9-17/h6-8,11,14H,3-5,9,17H2,1-2H3
InChIKeyJVDAONFEYFFNCZ-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.96
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide

N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide (PubChem CID 81112557) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide
PubChem CID81112557
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide
SMILESCc1ccc(Br)c(C(=O)N(C)C2CCCC2CN)c1
InChIInChI=1S/C15H21BrN2O/c1-10-6-7-13(16)12(8-10)15(19)18(2)14-5-3-4-11(14)9-17/h6-8,11,14H,3-5,9,17H2,1-2H3
InChIKeyJVDAONFEYFFNCZ-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide
CID 81295179
N-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide
CID 107963621
2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide
CID 81110329
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 107677154
2-bromo-N-(2-bromoethyl)-N-cyclobutyl-5-methylbenzamide
CID 102872929
N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide
CID 107672133
2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide
CID 81002456
N-[2-(aminomethyl)cyclohexyl]-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81442866
2-amino-N-cyclopentyl-N,5-dimethylbenzamide
CID 62509333
2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607476
2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82756721
2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide
CID 81005817

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide (CID 81112557) is N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide is Cc1ccc(Br)c(C(=O)N(C)C2CCCC2CN)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide?
The InChIKey is JVDAONFEYFFNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-6-7-13(16)12(8-10)15(19)18(2)14-5-3-4-11(14)9-17/h6-8,11,14H,3-5,9,17H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide?
N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide has a molecular weight of 325.25 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide is sourced from PubChem (CID 81112557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).