N-(2-bromophenyl)-3-cyclohexylpropanamide

C15H20BrNO — CID 803846

IUPACN-(2-bromophenyl)-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1ccccc1Br
InChIInChI=1S/C15H20BrNO/c16-13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,17,18)
InChIKeyMZIRYTSMDDWMQT-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.75
Rot. Bonds4

About N-(2-bromophenyl)-3-cyclohexylpropanamide

N-(2-bromophenyl)-3-cyclohexylpropanamide (PubChem CID 803846) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-cyclohexylpropanamide
PubChem CID803846
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-(2-bromophenyl)-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1ccccc1Br
InChIInChI=1S/C15H20BrNO/c16-13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,17,18)
InChIKeyMZIRYTSMDDWMQT-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-cyclohexylpropanamide?
The IUPAC name of N-(2-bromophenyl)-3-cyclohexylpropanamide (CID 803846) is N-(2-bromophenyl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(2-bromophenyl)-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-cyclohexylpropanamide?
The InChIKey is MZIRYTSMDDWMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,17,18).
What are the key properties of N-(2-bromophenyl)-3-cyclohexylpropanamide?
N-(2-bromophenyl)-3-cyclohexylpropanamide has a molecular weight of 310.23 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-cyclohexylpropanamide is sourced from PubChem (CID 803846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).