N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide

C15H15BrN2O — CID 60522017

IUPACN-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C15H15BrN2O/c1-10(2)11-3-5-12(6-4-11)15(19)18-14-8-7-13(16)9-17-14/h3-10H,1-2H3,(H,17,18,19)
InChIKeyAECNVYDELOTRNW-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.22
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide

N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide (PubChem CID 60522017) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
PubChem CID60522017
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C15H15BrN2O/c1-10(2)11-3-5-12(6-4-11)15(19)18-14-8-7-13(16)9-17-14/h3-10H,1-2H3,(H,17,18,19)
InChIKeyAECNVYDELOTRNW-UHFFFAOYSA-N
XLogP4.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide (CID 60522017) is N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)Nc2ccc(Br)cn2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide?
The InChIKey is AECNVYDELOTRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10(2)11-3-5-12(6-4-11)15(19)18-14-8-7-13(16)9-17-14/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide?
N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide has a molecular weight of 319.20 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 60522017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).