3-bromo-N-cyclohexyl-4-propoxybenzamide

C16H22BrNO2 — CID 17342733

IUPAC3-bromo-N-cyclohexyl-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC2CCCCC2)cc1Br
InChIInChI=1S/C16H22BrNO2/c1-2-10-20-15-9-8-12(11-14(15)17)16(19)18-13-6-4-3-5-7-13/h8-9,11,13H,2-7,10H2,1H3,(H,18,19)
InChIKeyZWMJNNPQXKPHSM-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.30
Rot. Bonds5

About 3-bromo-N-cyclohexyl-4-propoxybenzamide

3-bromo-N-cyclohexyl-4-propoxybenzamide (PubChem CID 17342733) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 3-bromo-N-cyclohexyl-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-cyclohexyl-4-propoxybenzamide
PubChem CID17342733
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name3-bromo-N-cyclohexyl-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC2CCCCC2)cc1Br
InChIInChI=1S/C16H22BrNO2/c1-2-10-20-15-9-8-12(11-14(15)17)16(19)18-13-6-4-3-5-7-13/h8-9,11,13H,2-7,10H2,1H3,(H,18,19)
InChIKeyZWMJNNPQXKPHSM-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide
CID 15943284
3-bromo-N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-propoxybenzamide
CID 17188768
N-cyclohexyl-4-propoxybenzamide
CID 4938429
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
CID 67803204
7-bicyclo[4.1.0]heptanyl-(3-bromo-4-propoxyphenyl)methanone
CID 104657025
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241
N-cyclohexyl-3-propoxybenzamide
CID 4960053
3-bromo-N-(cyclopentylcarbamothioyl)-4-(3-methylbutoxy)benzamide
CID 17339762
N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide
CID 119477535
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclohexyl-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-cyclohexyl-4-propoxybenzamide (CID 17342733) is 3-bromo-N-cyclohexyl-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-cyclohexyl-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-cyclohexyl-4-propoxybenzamide is CCCOc1ccc(C(=O)NC2CCCCC2)cc1Br.
What is the InChIKey of 3-bromo-N-cyclohexyl-4-propoxybenzamide?
The InChIKey is ZWMJNNPQXKPHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-2-10-20-15-9-8-12(11-14(15)17)16(19)18-13-6-4-3-5-7-13/h8-9,11,13H,2-7,10H2,1H3,(H,18,19).
What are the key properties of 3-bromo-N-cyclohexyl-4-propoxybenzamide?
3-bromo-N-cyclohexyl-4-propoxybenzamide has a molecular weight of 340.26 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclohexyl-4-propoxybenzamide is sourced from PubChem (CID 17342733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).