N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide

C15H20BrNO — CID 106134528

IUPACN-[(4-bromocyclohexyl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2CCC(Br)CC2)c1
InChIInChI=1S/C15H20BrNO/c1-11-3-2-4-13(9-11)15(18)17-10-12-5-7-14(16)8-6-12/h2-4,9,12,14H,5-8,10H2,1H3,(H,17,18)
InChIKeyYRWNXAPCXGKWSD-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.68
Rot. Bonds3

About N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide

N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide (PubChem CID 106134528) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(4-bromocyclohexyl)methyl]-3-methylbenzamide
PubChem CID106134528
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-[(4-bromocyclohexyl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2CCC(Br)CC2)c1
InChIInChI=1S/C15H20BrNO/c1-11-3-2-4-13(9-11)15(18)17-10-12-5-7-14(16)8-6-12/h2-4,9,12,14H,5-8,10H2,1H3,(H,17,18)
InChIKeyYRWNXAPCXGKWSD-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-[(4-bromocyclohexyl)methyl]benzamide
CID 106134088
N-(4-bromocyclohexyl)-3-methylbenzamide
CID 114309120
N-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide
CID 67567267
N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide
CID 106134580
N-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106134544
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 108922106
3,5-dibromo-N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134583
3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640446
N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide
CID 114147220
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
N-[(4-bromocyclohexyl)methyl]-4-methylsulfanylbenzamide
CID 106134799
tert-butyl (3R)-3-[[(3-methylbenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 99854116

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide?
The IUPAC name of N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide (CID 106134528) is N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide.
What is the SMILES notation for N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide?
The canonical SMILES for N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC2CCC(Br)CC2)c1.
What is the InChIKey of N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide?
The InChIKey is YRWNXAPCXGKWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11-3-2-4-13(9-11)15(18)17-10-12-5-7-14(16)8-6-12/h2-4,9,12,14H,5-8,10H2,1H3,(H,17,18).
What are the key properties of N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide?
N-[(4-bromocyclohexyl)methyl]-3-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-[(4-bromocyclohexyl)methyl]-3-methylbenzamide is sourced from PubChem (CID 106134528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).