N-(4-aminooxycyclohexyl)-4-bromo-N-methylbenzamide

C14H19BrN2O2 — CID 84607748

IUPACN-(4-aminooxycyclohexyl)-4-bromo-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Br)cc1)C1CCC(ON)CC1
InChIInChI=1S/C14H19BrN2O2/c1-17(12-6-8-13(19-16)9-7-12)14(18)10-2-4-11(15)5-3-10/h2-5,12-13H,6-9,16H2,1H3
InChIKeyBKLGEDKQWOSEDW-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.72
Rot. Bonds3

About N-(4-aminooxycyclohexyl)-4-bromo-N-methylbenzamide

N-(4-aminooxycyclohexyl)-4-bromo-N-methylbenzamide (PubChem CID 84607748) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(4-aminooxycyclohexyl)-4-bromo-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-aminooxycyclohexyl)-4-bromo-N-methylbenzamide
PubChem CID84607748
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-(4-aminooxycyclohexyl)-4-bromo-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Br)cc1)C1CCC(ON)CC1
InChIInChI=1S/C14H19BrN2O2/c1-17(12-6-8-13(19-16)9-7-12)14(18)10-2-4-11(15)5-3-10/h2-5,12-13H,6-9,16H2,1H3
InChIKeyBKLGEDKQWOSEDW-UHFFFAOYSA-N
XLogP2.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide
CID 155777509
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
N-cyclopropyl-4-hydroxy-N-methylbenzamide
CID 43265196
4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61041639
6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide
CID 115749091
N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide
CID 79121540
N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide
CID 79121715
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
CID 79714357
N-cyclopropyl-N-methyl-4-piperidin-4-yloxybenzamide
CID 143792433
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone
CID 43795016
2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide
CID 112811303

Frequently Asked Questions

What is the IUPAC name of N-(4-aminooxycyclohexyl)-4-bromo-N-methylbenzamide?
The IUPAC name of N-(4-aminooxycyclohexyl)-4-bromo-N-methylbenzamide (CID 84607748) is N-(4-aminooxycyclohexyl)-4-bromo-N-methylbenzamide.
What is the SMILES notation for N-(4-aminooxycyclohexyl)-4-bromo-N-methylbenzamide?
The canonical SMILES for N-(4-aminooxycyclohexyl)-4-bromo-N-methylbenzamide is CN(C(=O)c1ccc(Br)cc1)C1CCC(ON)CC1.
What is the InChIKey of N-(4-aminooxycyclohexyl)-4-bromo-N-methylbenzamide?
The InChIKey is BKLGEDKQWOSEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-17(12-6-8-13(19-16)9-7-12)14(18)10-2-4-11(15)5-3-10/h2-5,12-13H,6-9,16H2,1H3.
What are the key properties of N-(4-aminooxycyclohexyl)-4-bromo-N-methylbenzamide?
N-(4-aminooxycyclohexyl)-4-bromo-N-methylbenzamide has a molecular weight of 327.22 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminooxycyclohexyl)-4-bromo-N-methylbenzamide is sourced from PubChem (CID 84607748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).