N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide

C14H19BrN2O — CID 102851590

IUPACN-(4-aminocyclohexyl)-4-(bromomethyl)benzamide
SMILESNC1CCC(NC(=O)c2ccc(CBr)cc2)CC1
InChIInChI=1S/C14H19BrN2O/c15-9-10-1-3-11(4-2-10)14(18)17-13-7-5-12(16)6-8-13/h1-4,12-13H,5-9,16H2,(H,17,18)
InChIKeyVQUKVGUZFBPITN-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.58
Rot. Bonds3

About N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide

N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide (PubChem CID 102851590) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-(bromomethyl)benzamide
PubChem CID102851590
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(4-aminocyclohexyl)-4-(bromomethyl)benzamide
SMILESNC1CCC(NC(=O)c2ccc(CBr)cc2)CC1
InChIInChI=1S/C14H19BrN2O/c15-9-10-1-3-11(4-2-10)14(18)17-13-7-5-12(16)6-8-13/h1-4,12-13H,5-9,16H2,(H,17,18)
InChIKeyVQUKVGUZFBPITN-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119478160
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
4-(bromomethyl)-N-(thiolan-3-yl)benzamide
CID 103062722
4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 102852021
4-benzyl-N-cyclopropylbenzamide
CID 45086871
4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809354
N-(4-aminocyclohexyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 119474893
N-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119478238
N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 43653129
N-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide
CID 79113506
N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride
CID 119474938
N-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide
CID 119479149

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide (CID 102851590) is N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide is NC1CCC(NC(=O)c2ccc(CBr)cc2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide?
The InChIKey is VQUKVGUZFBPITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-9-10-1-3-11(4-2-10)14(18)17-13-7-5-12(16)6-8-13/h1-4,12-13H,5-9,16H2,(H,17,18).
What are the key properties of N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide?
N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide has a molecular weight of 311.22 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide is sourced from PubChem (CID 102851590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).