4-bromo-N-cyclohexyl-N-cyclopentylbenzamide

C18H24BrNO — CID 19754888

IUPAC4-bromo-N-cyclohexyl-N-cyclopentylbenzamide
SMILESO=C(c1ccc(Br)cc1)N(C1CCCCC1)C1CCCC1
InChIInChI=1S/C18H24BrNO/c19-15-12-10-14(11-13-15)18(21)20(17-8-4-5-9-17)16-6-2-1-3-7-16/h10-13,16-17H,1-9H2
InChIKeyDMQNARFXWXWMDC-UHFFFAOYSA-N
MW350.30 g/mol
LogP5.17
Rot. Bonds3

About 4-bromo-N-cyclohexyl-N-cyclopentylbenzamide

4-bromo-N-cyclohexyl-N-cyclopentylbenzamide (PubChem CID 19754888) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is 4-bromo-N-cyclohexyl-N-cyclopentylbenzamide.

Molecular Properties

Compound Name4-bromo-N-cyclohexyl-N-cyclopentylbenzamide
PubChem CID19754888
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC Name4-bromo-N-cyclohexyl-N-cyclopentylbenzamide
SMILESO=C(c1ccc(Br)cc1)N(C1CCCCC1)C1CCCC1
InChIInChI=1S/C18H24BrNO/c19-15-12-10-14(11-13-15)18(21)20(17-8-4-5-9-17)16-6-2-1-3-7-16/h10-13,16-17H,1-9H2
InChIKeyDMQNARFXWXWMDC-UHFFFAOYSA-N
XLogP5.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.30
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-bromo-N-cyclohexyl-N-hexylbenzamide
CID 54086681
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2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclohexyl-N-cyclopentylbenzamide?
The IUPAC name of 4-bromo-N-cyclohexyl-N-cyclopentylbenzamide (CID 19754888) is 4-bromo-N-cyclohexyl-N-cyclopentylbenzamide.
What is the SMILES notation for 4-bromo-N-cyclohexyl-N-cyclopentylbenzamide?
The canonical SMILES for 4-bromo-N-cyclohexyl-N-cyclopentylbenzamide is O=C(c1ccc(Br)cc1)N(C1CCCCC1)C1CCCC1.
What is the InChIKey of 4-bromo-N-cyclohexyl-N-cyclopentylbenzamide?
The InChIKey is DMQNARFXWXWMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c19-15-12-10-14(11-13-15)18(21)20(17-8-4-5-9-17)16-6-2-1-3-7-16/h10-13,16-17H,1-9H2.
What are the key properties of 4-bromo-N-cyclohexyl-N-cyclopentylbenzamide?
4-bromo-N-cyclohexyl-N-cyclopentylbenzamide has a molecular weight of 350.30 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclohexyl-N-cyclopentylbenzamide is sourced from PubChem (CID 19754888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).