N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide

C14H18BrNO — CID 106128335

IUPACN-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1CCC(Br)C1
InChIInChI=1S/C14H18BrNO/c1-10-4-2-3-5-13(10)14(17)16-9-11-6-7-12(15)8-11/h2-5,11-12H,6-9H2,1H3,(H,16,17)
InChIKeyRSRQIZFTVRDKFY-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.29
Rot. Bonds3

About N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide

N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide (PubChem CID 106128335) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
PubChem CID106128335
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1CCC(Br)C1
InChIInChI=1S/C14H18BrNO/c1-10-4-2-3-5-13(10)14(17)16-9-11-6-7-12(15)8-11/h2-5,11-12H,6-9H2,1H3,(H,16,17)
InChIKeyRSRQIZFTVRDKFY-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.29
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]-2-methoxybenzamide
CID 106128171
N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106128022
N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide
CID 114147220
N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide
CID 114148036
N-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide
CID 114147208
N-[(3-bromocyclohexyl)methyl]-2-methylsulfanylbenzamide
CID 114147792
N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 110736135
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 106128032
N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide
CID 106127832
N-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide
CID 106129095
N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide
CID 106128590

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide (CID 106128335) is N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC1CCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide?
The InChIKey is RSRQIZFTVRDKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-4-2-3-5-13(10)14(17)16-9-11-6-7-12(15)8-11/h2-5,11-12H,6-9H2,1H3,(H,16,17).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide?
N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide has a molecular weight of 296.21 g/mol, XLogP of 3.29, 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]-2-methylbenzamide is sourced from PubChem (CID 106128335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).