N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide

C15H20BrNO — CID 114179665

IUPACN-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCC2CBr)cc1
InChIInChI=1S/C15H20BrNO/c1-11-6-8-12(9-7-11)15(18)17-14-5-3-2-4-13(14)10-16/h6-9,13-14H,2-5,10H2,1H3,(H,17,18)
InChIKeyPFULRPUBZZAYEC-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.68
Rot. Bonds3

About N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide

N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide (PubChem CID 114179665) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
PubChem CID114179665
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCC2CBr)cc1
InChIInChI=1S/C15H20BrNO/c1-11-6-8-12(9-7-11)15(18)17-14-5-3-2-4-13(14)10-16/h6-9,13-14H,2-5,10H2,1H3,(H,17,18)
InChIKeyPFULRPUBZZAYEC-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.68
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-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
CID 106367084
N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 106367297
N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide
CID 106367080
N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179456
N-[2-(bromomethyl)cyclohexyl]-4-chloro-3-methylbenzamide
CID 114179693
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide
CID 106366494
N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide
CID 106367322
N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide
CID 106367295
5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide
CID 106367301
N-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide
CID 106366425
N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 106367227

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide (CID 114179665) is N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CCCCC2CBr)cc1.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide?
The InChIKey is PFULRPUBZZAYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11-6-8-12(9-7-11)15(18)17-14-5-3-2-4-13(14)10-16/h6-9,13-14H,2-5,10H2,1H3,(H,17,18).
What are the key properties of N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide?
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide has a molecular weight of 310.23 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide is sourced from PubChem (CID 114179665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).