N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide

C15H20BrNO — CID 114147220

IUPACN-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC2CCC(Br)C2)cc1C
InChIInChI=1S/C15H20BrNO/c1-10-3-5-13(7-11(10)2)15(18)17-9-12-4-6-14(16)8-12/h3,5,7,12,14H,4,6,8-9H2,1-2H3,(H,17,18)
InChIKeyOKAIFOXYACVONV-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.60
Rot. Bonds3

About N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide

N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide (PubChem CID 114147220) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide
PubChem CID114147220
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC NameN-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC2CCC(Br)C2)cc1C
InChIInChI=1S/C15H20BrNO/c1-10-3-5-13(7-11(10)2)15(18)17-9-12-4-6-14(16)8-12/h3,5,7,12,14H,4,6,8-9H2,1-2H3,(H,17,18)
InChIKeyOKAIFOXYACVONV-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
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-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide
CID 106128639
N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide
CID 106127832
N-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide
CID 106129095
N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide
CID 106133207
N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide
CID 114147272
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
N-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide
CID 106127955
N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
CID 106128335
N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-nitrobenzamide
CID 106128710
N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide
CID 106134528
N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide
CID 106133221
N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106128022

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide (CID 114147220) is N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC2CCC(Br)C2)cc1C.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide?
The InChIKey is OKAIFOXYACVONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-10-3-5-13(7-11(10)2)15(18)17-9-12-4-6-14(16)8-12/h3,5,7,12,14H,4,6,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide?
N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide has a molecular weight of 310.24 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 114147220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).