4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide

C16H17BrN2O — CID 60956029

IUPAC4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(C)N(Cc1ccccn1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-12(2)19(11-15-5-3-4-10-18-15)16(20)13-6-8-14(17)9-7-13/h3-10,12H,11H2,1-2H3
InChIKeyTVCVIPQGBHEIJN-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.89
Rot. Bonds4

About 4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide

4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 60956029) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID60956029
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(C)N(Cc1ccccn1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-12(2)19(11-15-5-3-4-10-18-15)16(20)13-6-8-14(17)9-7-13/h3-10,12H,11H2,1-2H3
InChIKeyTVCVIPQGBHEIJN-UHFFFAOYSA-N
XLogP3.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 80974170
2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230
3-bromo-2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 103988691
2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 80974171
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 47063377
N-propan-2-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61036038
5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide
CID 107909493
1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
CID 62611657
N-(4-bromophenyl)-4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
CID 60533673
3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 51088401
1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one
CID 62030222
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 4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide (CID 60956029) is 4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide is CC(C)N(Cc1ccccn1)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is TVCVIPQGBHEIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-12(2)19(11-15-5-3-4-10-18-15)16(20)13-6-8-14(17)9-7-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 333.23 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 60956029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).