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

C15H15BrN2O — CID 102674107

IUPACN-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2cc(Br)ccn2)cc1
InChIInChI=1S/C15H15BrN2O/c1-10(2)11-3-5-12(6-4-11)15(19)18-14-9-13(16)7-8-17-14/h3-10H,1-2H3,(H,17,18,19)
InChIKeyWVYAAGFIKFZAMC-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.22
Rot. Bonds3

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

N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide (PubChem CID 102674107) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
PubChem CID102674107
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2cc(Br)ccn2)cc1
InChIInChI=1S/C15H15BrN2O/c1-10(2)11-3-5-12(6-4-11)15(19)18-14-9-13(16)7-8-17-14/h3-10H,1-2H3,(H,17,18,19)
InChIKeyWVYAAGFIKFZAMC-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

N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 60522017
6-bromo-N-(4-bromo-2-pyridinyl)naphthalene-2-carboxamide
CID 102820628
N-(4-bromo-2-pyridinyl)-4-nitrobenzamide
CID 102674414
N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide
CID 102674424
N-(4-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 107674194
N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide
CID 102674199
4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 86695853
N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 127109293
N-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 102674171
2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide
CID 130631426
N-(4-bromo-2-pyridinyl)-3-fluorobenzamide
CID 3011458
N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide
CID 104964161

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide (CID 102674107) is N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)Nc2cc(Br)ccn2)cc1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide?
The InChIKey is WVYAAGFIKFZAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10(2)11-3-5-12(6-4-11)15(19)18-14-9-13(16)7-8-17-14/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide?
N-(4-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-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 102674107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).