4-bromo-N-cyclohexyl-N-pyridin-2-ylbenzamide

C18H19BrN2O — CID 1167370

IUPAC4-bromo-N-cyclohexyl-N-pyridin-2-ylbenzamide
SMILESO=C(c1ccc(Br)cc1)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C18H19BrN2O/c19-15-11-9-14(10-12-15)18(22)21(16-6-2-1-3-7-16)17-8-4-5-13-20-17/h4-5,8-13,16H,1-3,6-7H2
InChIKeyZQMXLQOZMLMAAZ-UHFFFAOYSA-N
MW359.27 g/mol
LogP4.82
Rot. Bonds3

About 4-bromo-N-cyclohexyl-N-pyridin-2-ylbenzamide

4-bromo-N-cyclohexyl-N-pyridin-2-ylbenzamide (PubChem CID 1167370) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is 4-bromo-N-cyclohexyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-bromo-N-cyclohexyl-N-pyridin-2-ylbenzamide
PubChem CID1167370
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name4-bromo-N-cyclohexyl-N-pyridin-2-ylbenzamide
SMILESO=C(c1ccc(Br)cc1)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C18H19BrN2O/c19-15-11-9-14(10-12-15)18(22)21(16-6-2-1-3-7-16)17-8-4-5-13-20-17/h4-5,8-13,16H,1-3,6-7H2
InChIKeyZQMXLQOZMLMAAZ-UHFFFAOYSA-N
XLogP4.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclohexyl-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-bromo-N-cyclohexyl-N-pyridin-2-ylbenzamide (CID 1167370) is 4-bromo-N-cyclohexyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-bromo-N-cyclohexyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-bromo-N-cyclohexyl-N-pyridin-2-ylbenzamide is O=C(c1ccc(Br)cc1)N(c1ccccn1)C1CCCCC1.
What is the InChIKey of 4-bromo-N-cyclohexyl-N-pyridin-2-ylbenzamide?
The InChIKey is ZQMXLQOZMLMAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c19-15-11-9-14(10-12-15)18(22)21(16-6-2-1-3-7-16)17-8-4-5-13-20-17/h4-5,8-13,16H,1-3,6-7H2.
What are the key properties of 4-bromo-N-cyclohexyl-N-pyridin-2-ylbenzamide?
4-bromo-N-cyclohexyl-N-pyridin-2-ylbenzamide has a molecular weight of 359.27 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclohexyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 1167370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).