N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide

C15H20BrNO — CID 114311355

IUPACN-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2(CBr)CCCC2)c(C)c1
InChIInChI=1S/C15H20BrNO/c1-11-5-6-13(12(2)9-11)14(18)17-15(10-16)7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyZFRIFFIZGCAATA-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.74
Rot. Bonds3

About N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide

N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide (PubChem CID 114311355) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide
PubChem CID114311355
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2(CBr)CCCC2)c(C)c1
InChIInChI=1S/C15H20BrNO/c1-11-5-6-13(12(2)9-11)14(18)17-15(10-16)7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyZFRIFFIZGCAATA-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(bromomethyl)cyclopentyl]-2-methyl-4-nitrobenzamide
CID 114311554
N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide
CID 114314026
N-[1-(bromomethyl)cyclopentyl]-5-methyl-2-nitrobenzamide
CID 114311439
N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82890509
N-[4-(bromomethyl)oxan-4-yl]-2-hydroxy-4-methylbenzamide
CID 106304683
4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
CID 113356724
3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 113274839
N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide
CID 114311329
N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide
CID 114311325
2,4-dibromo-N-[1-(bromomethyl)cyclobutyl]benzamide
CID 107941451
N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide
CID 114311351
2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide
CID 114300743

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide (CID 114311355) is N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NC2(CBr)CCCC2)c(C)c1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide?
The InChIKey is ZFRIFFIZGCAATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11-5-6-13(12(2)9-11)14(18)17-15(10-16)7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide?
N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide has a molecular weight of 310.24 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 114311355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).