2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide

C17H19BrN2O — CID 80974171

IUPAC2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(Br)c(C(=O)N(Cc2ccccn2)C(C)C)c1
InChIInChI=1S/C17H19BrN2O/c1-12(2)20(11-14-6-4-5-9-19-14)17(21)15-10-13(3)7-8-16(15)18/h4-10,12H,11H2,1-3H3
InChIKeyAZGHVRAAURKJSG-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.20
Rot. Bonds4

About 2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide

2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 80974171) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID80974171
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(Br)c(C(=O)N(Cc2ccccn2)C(C)C)c1
InChIInChI=1S/C17H19BrN2O/c1-12(2)20(11-14-6-4-5-9-19-14)17(21)15-10-13(3)7-8-16(15)18/h4-10,12H,11H2,1-3H3
InChIKeyAZGHVRAAURKJSG-UHFFFAOYSA-N
XLogP4.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 103988691
4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 80974170
4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 60956029
2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230
2-bromo-5-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 81109662
N-propan-2-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61036038
4-amino-1-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 61109144
3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 51088401
5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide
CID 107909493
N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide
CID 50971930
1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide
CID 54872425
4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 63103234

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide (CID 80974171) is 2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide is Cc1ccc(Br)c(C(=O)N(Cc2ccccn2)C(C)C)c1.
What is the InChIKey of 2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is AZGHVRAAURKJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12(2)20(11-14-6-4-5-9-19-14)17(21)15-10-13(3)7-8-16(15)18/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 347.26 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 80974171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).