2-bromo-N-(2-pyridin-3-ylpropan-2-yl)benzamide

C15H15BrN2O — CID 110870294

IUPAC2-bromo-N-(2-pyridin-3-ylpropan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1ccccc1Br)c1cccnc1
InChIInChI=1S/C15H15BrN2O/c1-15(2,11-6-5-9-17-10-11)18-14(19)12-7-3-4-8-13(12)16/h3-10H,1-2H3,(H,18,19)
InChIKeyUNUAFDJPKBHWSS-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.51
Rot. Bonds3

About 2-bromo-N-(2-pyridin-3-ylpropan-2-yl)benzamide

2-bromo-N-(2-pyridin-3-ylpropan-2-yl)benzamide (PubChem CID 110870294) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-bromo-N-(2-pyridin-3-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-pyridin-3-ylpropan-2-yl)benzamide
PubChem CID110870294
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-bromo-N-(2-pyridin-3-ylpropan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1ccccc1Br)c1cccnc1
InChIInChI=1S/C15H15BrN2O/c1-15(2,11-6-5-9-17-10-11)18-14(19)12-7-3-4-8-13(12)16/h3-10H,1-2H3,(H,18,19)
InChIKeyUNUAFDJPKBHWSS-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-pyridin-3-ylpropan-2-yl)pyridine-3-carboxamide
CID 110870312
N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
CID 47444755
2-bromo-N-(2-methylbutan-2-yl)benzamide
CID 24700588
2-bromo-N-pyrazin-2-ylbenzamide
CID 43409356
3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 122145092
2-bromo-N-[(1R)-2,2,2-trichloro-1-(pyridin-3-ylamino)ethyl]benzamide
CID 34255993
N-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115645898
2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 112983013
3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 4912937
(3R)-3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 7200717
methyl 2-bromo-2-pyridin-3-ylpropanoate
CID 22902516
2-iodo-N-(2-phenylpropan-2-yl)benzamide
CID 47444713

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-pyridin-3-ylpropan-2-yl)benzamide?
The IUPAC name of 2-bromo-N-(2-pyridin-3-ylpropan-2-yl)benzamide (CID 110870294) is 2-bromo-N-(2-pyridin-3-ylpropan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-pyridin-3-ylpropan-2-yl)benzamide?
The canonical SMILES for 2-bromo-N-(2-pyridin-3-ylpropan-2-yl)benzamide is CC(C)(NC(=O)c1ccccc1Br)c1cccnc1.
What is the InChIKey of 2-bromo-N-(2-pyridin-3-ylpropan-2-yl)benzamide?
The InChIKey is UNUAFDJPKBHWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-15(2,11-6-5-9-17-10-11)18-14(19)12-7-3-4-8-13(12)16/h3-10H,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-(2-pyridin-3-ylpropan-2-yl)benzamide?
2-bromo-N-(2-pyridin-3-ylpropan-2-yl)benzamide has a molecular weight of 319.20 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-pyridin-3-ylpropan-2-yl)benzamide is sourced from PubChem (CID 110870294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).