N-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide

C17H24BrNO — CID 106134544

IUPACN-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC2CCC(Br)CC2)c(C)c1
InChIInChI=1S/C17H24BrNO/c1-11-8-12(2)16(13(3)9-11)17(20)19-10-14-4-6-15(18)7-5-14/h8-9,14-15H,4-7,10H2,1-3H3,(H,19,20)
InChIKeyRNWQRWCTTIOUHH-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.30
Rot. Bonds3

About N-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide

N-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide (PubChem CID 106134544) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide
PubChem CID106134544
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC2CCC(Br)CC2)c(C)c1
InChIInChI=1S/C17H24BrNO/c1-11-8-12(2)16(13(3)9-11)17(20)19-10-14-4-6-15(18)7-5-14/h8-9,14-15H,4-7,10H2,1-3H3,(H,19,20)
InChIKeyRNWQRWCTTIOUHH-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.30
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-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106133711
N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide
CID 106134528
N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106123345
N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide
CID 106134580
3,5-dibromo-N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134583
N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134088
N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 106128032
N-[(4-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 106123427
N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide
CID 114147220
1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea
CID 5188255
N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide
CID 114148036
N-[(4-bromocyclohexyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114148088

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide (CID 106134544) is N-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NCC2CCC(Br)CC2)c(C)c1.
What is the InChIKey of N-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide?
The InChIKey is RNWQRWCTTIOUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-11-8-12(2)16(13(3)9-11)17(20)19-10-14-4-6-15(18)7-5-14/h8-9,14-15H,4-7,10H2,1-3H3,(H,19,20).
What are the key properties of N-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide?
N-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide has a molecular weight of 338.29 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 106134544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).