N-(4-bromocyclohexyl)-3-propoxybenzamide

C16H22BrNO2 — CID 114308980

IUPACN-(4-bromocyclohexyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC2CCC(Br)CC2)c1
InChIInChI=1S/C16H22BrNO2/c1-2-10-20-15-5-3-4-12(11-15)16(19)18-14-8-6-13(17)7-9-14/h3-5,11,13-14H,2,6-10H2,1H3,(H,18,19)
InChIKeyAKOCOOJCVZFQJQ-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.91
Rot. Bonds5

About N-(4-bromocyclohexyl)-3-propoxybenzamide

N-(4-bromocyclohexyl)-3-propoxybenzamide (PubChem CID 114308980) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-3-propoxybenzamide
PubChem CID114308980
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC NameN-(4-bromocyclohexyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC2CCC(Br)CC2)c1
InChIInChI=1S/C16H22BrNO2/c1-2-10-20-15-5-3-4-12(11-15)16(19)18-14-8-6-13(17)7-9-14/h3-5,11,13-14H,2,6-10H2,1H3,(H,18,19)
InChIKeyAKOCOOJCVZFQJQ-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-3-propoxybenzamide
CID 4960053
N-(3,3-dimethylcyclopentyl)-3-propoxybenzamide
CID 114550316
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229681
N-(4-bromocyclohexyl)-3-methylbenzamide
CID 114309120
N-cyclopropyl-3-methoxybenzamide
CID 900156
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
CID 119386846
2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide
CID 17188531
N-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide
CID 60522738
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
N-(3-hydroxycyclobutyl)-3-(2-methoxyethoxy)benzamide
CID 126818884

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-3-propoxybenzamide?
The IUPAC name of N-(4-bromocyclohexyl)-3-propoxybenzamide (CID 114308980) is N-(4-bromocyclohexyl)-3-propoxybenzamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-3-propoxybenzamide?
The canonical SMILES for N-(4-bromocyclohexyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)NC2CCC(Br)CC2)c1.
What is the InChIKey of N-(4-bromocyclohexyl)-3-propoxybenzamide?
The InChIKey is AKOCOOJCVZFQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-2-10-20-15-5-3-4-12(11-15)16(19)18-14-8-6-13(17)7-9-14/h3-5,11,13-14H,2,6-10H2,1H3,(H,18,19).
What are the key properties of N-(4-bromocyclohexyl)-3-propoxybenzamide?
N-(4-bromocyclohexyl)-3-propoxybenzamide has a molecular weight of 340.26 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-3-propoxybenzamide is sourced from PubChem (CID 114308980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).