4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide

C15H15BrN2O — CID 67386076

IUPAC4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
SMILESCc1cc(C(=O)NCCc2cccnc2)ccc1Br
InChIInChI=1S/C15H15BrN2O/c1-11-9-13(4-5-14(11)16)15(19)18-8-6-12-3-2-7-17-10-12/h2-5,7,9-10H,6,8H2,1H3,(H,18,19)
InChIKeyNTKNXDQXKPRFBM-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.13
Rot. Bonds4

About 4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide

4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide (PubChem CID 67386076) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
PubChem CID67386076
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
SMILESCc1cc(C(=O)NCCc2cccnc2)ccc1Br
InChIInChI=1S/C15H15BrN2O/c1-11-9-13(4-5-14(11)16)15(19)18-8-6-12-3-2-7-17-10-12/h2-5,7,9-10H,6,8H2,1H3,(H,18,19)
InChIKeyNTKNXDQXKPRFBM-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(methylamino)-N-(2-pyridin-3-ylethyl)benzamide
CID 63210322
2-bromo-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 103752224
5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 65306899
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide
CID 110607078
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 31399135
N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24661254
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485
1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide
CID 112530368
N-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 31398756
5-amino-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 61290785

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide (CID 67386076) is 4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide is Cc1cc(C(=O)NCCc2cccnc2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide?
The InChIKey is NTKNXDQXKPRFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-11-9-13(4-5-14(11)16)15(19)18-8-6-12-3-2-7-17-10-12/h2-5,7,9-10H,6,8H2,1H3,(H,18,19).
What are the key properties of 4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide?
4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide has a molecular weight of 319.20 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 67386076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).