N-benzyl-3-bromo-4-ethoxybenzamide

C16H16BrNO2 — CID 880591

IUPACN-benzyl-3-bromo-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2ccccc2)cc1Br
InChIInChI=1S/C16H16BrNO2/c1-2-20-15-9-8-13(10-14(15)17)16(19)18-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyDIIOHPWBYIARRJ-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.78
Rot. Bonds5

About N-benzyl-3-bromo-4-ethoxybenzamide

N-benzyl-3-bromo-4-ethoxybenzamide (PubChem CID 880591) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-benzyl-3-bromo-4-ethoxybenzamide.

Molecular Properties

Compound NameN-benzyl-3-bromo-4-ethoxybenzamide
PubChem CID880591
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-benzyl-3-bromo-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2ccccc2)cc1Br
InChIInChI=1S/C16H16BrNO2/c1-2-20-15-9-8-13(10-14(15)17)16(19)18-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyDIIOHPWBYIARRJ-UHFFFAOYSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(4-bromophenyl)-1-(4-(4-methoxybenzoyl)piperazin-1-yl)prop-2-en-1-one
CID 36295259
4-methoxy-N-(2-oxo-2-phenylethyl)benzamide
CID 796649
N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 720058
N-(3,3-Dimethyl-butyl)-4-hexyloxy-benzamide
CID 10979664
4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2222949
Benzamide, N,N'-(2,2-dimethyl-1,3-propanediyl)bis(4-methoxy-
CID 2850150
N-cyclooctyl-4-ethoxybenzamide
CID 3267472
4-methoxy-N-(3-phenylpropyl)benzamide
CID 1744311
2-Bromo-N-(2-(4-propylphenoxy)ethyl)benzamide
CID 2302649
N-benzyl-4-methoxybenzamide
CID 346035
N-(4-methoxybenzyl)-3-methylbenzamide
CID 710446
N-[(4-methoxyphenyl)methyl]benzamide
CID 3959383

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-bromo-4-ethoxybenzamide?
The IUPAC name of N-benzyl-3-bromo-4-ethoxybenzamide (CID 880591) is N-benzyl-3-bromo-4-ethoxybenzamide.
What is the SMILES notation for N-benzyl-3-bromo-4-ethoxybenzamide?
The canonical SMILES for N-benzyl-3-bromo-4-ethoxybenzamide is CCOc1ccc(C(=O)NCc2ccccc2)cc1Br.
What is the InChIKey of N-benzyl-3-bromo-4-ethoxybenzamide?
The InChIKey is DIIOHPWBYIARRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-2-20-15-9-8-13(10-14(15)17)16(19)18-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,19).
What are the key properties of N-benzyl-3-bromo-4-ethoxybenzamide?
N-benzyl-3-bromo-4-ethoxybenzamide has a molecular weight of 334.21 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-bromo-4-ethoxybenzamide is sourced from PubChem (CID 880591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).