2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide

C16H17BrN2O — CID 110755663

IUPAC2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCCN(CCc1ccncc1)C(=O)c1ccccc1Br
InChIInChI=1S/C16H17BrN2O/c1-2-19(12-9-13-7-10-18-11-8-13)16(20)14-5-3-4-6-15(14)17/h3-8,10-11H,2,9,12H2,1H3
InChIKeyPMQFOGUVDIGJHB-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.55
Rot. Bonds5

About 2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide

2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 110755663) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID110755663
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCCN(CCc1ccncc1)C(=O)c1ccccc1Br
InChIInChI=1S/C16H17BrN2O/c1-2-19(12-9-13-7-10-18-11-8-13)16(20)14-5-3-4-6-15(14)17/h3-8,10-11H,2,9,12H2,1H3
InChIKeyPMQFOGUVDIGJHB-UHFFFAOYSA-N
XLogP3.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-butyl-N-ethylbenzamide
CID 2164030
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
2-bromo-N-dodecyl-N-ethylbenzamide
CID 91728318
3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethyl-1-(2-pyridin-4-ylethyl)urea
CID 108905138
N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-4-carboxamide
CID 110694438
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037
2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide
CID 52573948
N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide
CID 103102660
2-bromo-N-methyl-N-(2-phenylethyl)benzamide
CID 60739770
2-bromo-N,N-dibutylbenzamide
CID 2843235
3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82183845
N-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide
CID 110600687

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide (CID 110755663) is 2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide is CCN(CCc1ccncc1)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is PMQFOGUVDIGJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-2-19(12-9-13-7-10-18-11-8-13)16(20)14-5-3-4-6-15(14)17/h3-8,10-11H,2,9,12H2,1H3.
What are the key properties of 2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide?
2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 333.23 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 110755663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).