4-bromo-N-cyclohexyl-N-hexylbenzamide

C19H28BrNO — CID 54086681

IUPAC4-bromo-N-cyclohexyl-N-hexylbenzamide
SMILESCCCCCCN(C(=O)c1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C19H28BrNO/c1-2-3-4-8-15-21(18-9-6-5-7-10-18)19(22)16-11-13-17(20)14-12-16/h11-14,18H,2-10,15H2,1H3
InChIKeyMQZGWXQONAGLPC-UHFFFAOYSA-N
MW366.34 g/mol
LogP5.80
Rot. Bonds7

About 4-bromo-N-cyclohexyl-N-hexylbenzamide

4-bromo-N-cyclohexyl-N-hexylbenzamide (PubChem CID 54086681) has the molecular formula C19H28BrNO and a molecular weight of 366.34 g/mol. Its IUPAC name is 4-bromo-N-cyclohexyl-N-hexylbenzamide.

Molecular Properties

Compound Name4-bromo-N-cyclohexyl-N-hexylbenzamide
PubChem CID54086681
Molecular FormulaC19H28BrNO
Molecular Weight366.34 g/mol
Exact Mass365.14
IUPAC Name4-bromo-N-cyclohexyl-N-hexylbenzamide
SMILESCCCCCCN(C(=O)c1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C19H28BrNO/c1-2-3-4-8-15-21(18-9-6-5-7-10-18)19(22)16-11-13-17(20)14-12-16/h11-14,18H,2-10,15H2,1H3
InChIKeyMQZGWXQONAGLPC-UHFFFAOYSA-N
XLogP5.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.34
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 63391545
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CID 19754888
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CID 3317185
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CID 102872326
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CID 102861173
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclohexyl-N-hexylbenzamide?
The IUPAC name of 4-bromo-N-cyclohexyl-N-hexylbenzamide (CID 54086681) is 4-bromo-N-cyclohexyl-N-hexylbenzamide.
What is the SMILES notation for 4-bromo-N-cyclohexyl-N-hexylbenzamide?
The canonical SMILES for 4-bromo-N-cyclohexyl-N-hexylbenzamide is CCCCCCN(C(=O)c1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of 4-bromo-N-cyclohexyl-N-hexylbenzamide?
The InChIKey is MQZGWXQONAGLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrNO/c1-2-3-4-8-15-21(18-9-6-5-7-10-18)19(22)16-11-13-17(20)14-12-16/h11-14,18H,2-10,15H2,1H3.
What are the key properties of 4-bromo-N-cyclohexyl-N-hexylbenzamide?
4-bromo-N-cyclohexyl-N-hexylbenzamide has a molecular weight of 366.34 g/mol, XLogP of 5.80, 7 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-hexylbenzamide is sourced from PubChem (CID 54086681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).