4-bromo-N-cyclohexyl-N-(cyclohexylcarbamoyl)benzamide

C20H27BrN2O2 — CID 139074102

IUPAC4-bromo-N-cyclohexyl-N-(cyclohexylcarbamoyl)benzamide
SMILESO=C(NC1CCCCC1)N(C(=O)c1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C20H27BrN2O2/c21-16-13-11-15(12-14-16)19(24)23(18-9-5-2-6-10-18)20(25)22-17-7-3-1-4-8-17/h11-14,17-18H,1-10H2,(H,22,25)
InChIKeyVPNYDTKNURARCZ-UHFFFAOYSA-N
MW407.35 g/mol
LogP5.27
Rot. Bonds3

About 4-bromo-N-cyclohexyl-N-(cyclohexylcarbamoyl)benzamide

4-bromo-N-cyclohexyl-N-(cyclohexylcarbamoyl)benzamide (PubChem CID 139074102) has the molecular formula C20H27BrN2O2 and a molecular weight of 407.35 g/mol. Its IUPAC name is 4-bromo-N-cyclohexyl-N-(cyclohexylcarbamoyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-cyclohexyl-N-(cyclohexylcarbamoyl)benzamide
PubChem CID139074102
Molecular FormulaC20H27BrN2O2
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC Name4-bromo-N-cyclohexyl-N-(cyclohexylcarbamoyl)benzamide
SMILESO=C(NC1CCCCC1)N(C(=O)c1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C20H27BrN2O2/c21-16-13-11-15(12-14-16)19(24)23(18-9-5-2-6-10-18)20(25)22-17-7-3-1-4-8-17/h11-14,17-18H,1-10H2,(H,22,25)
InChIKeyVPNYDTKNURARCZ-UHFFFAOYSA-N
XLogP5.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.35
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63492666
1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclohexyl-N-(cyclohexylcarbamoyl)benzamide?
The IUPAC name of 4-bromo-N-cyclohexyl-N-(cyclohexylcarbamoyl)benzamide (CID 139074102) is 4-bromo-N-cyclohexyl-N-(cyclohexylcarbamoyl)benzamide.
What is the SMILES notation for 4-bromo-N-cyclohexyl-N-(cyclohexylcarbamoyl)benzamide?
The canonical SMILES for 4-bromo-N-cyclohexyl-N-(cyclohexylcarbamoyl)benzamide is O=C(NC1CCCCC1)N(C(=O)c1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of 4-bromo-N-cyclohexyl-N-(cyclohexylcarbamoyl)benzamide?
The InChIKey is VPNYDTKNURARCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN2O2/c21-16-13-11-15(12-14-16)19(24)23(18-9-5-2-6-10-18)20(25)22-17-7-3-1-4-8-17/h11-14,17-18H,1-10H2,(H,22,25).
What are the key properties of 4-bromo-N-cyclohexyl-N-(cyclohexylcarbamoyl)benzamide?
4-bromo-N-cyclohexyl-N-(cyclohexylcarbamoyl)benzamide has a molecular weight of 407.35 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclohexyl-N-(cyclohexylcarbamoyl)benzamide is sourced from PubChem (CID 139074102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).