N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide

C17H18BrNO2 — CID 60660630

IUPACN-benzyl-3-bromo-N-ethyl-4-methoxybenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C17H18BrNO2/c1-3-19(12-13-7-5-4-6-8-13)17(20)14-9-10-16(21-2)15(18)11-14/h4-11H,3,12H2,1-2H3
InChIKeyJEBXMTUTPQRPIW-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.12
Rot. Bonds5

About N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide

N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide (PubChem CID 60660630) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-benzyl-3-bromo-N-ethyl-4-methoxybenzamide
PubChem CID60660630
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-benzyl-3-bromo-N-ethyl-4-methoxybenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C17H18BrNO2/c1-3-19(12-13-7-5-4-6-8-13)17(20)14-9-10-16(21-2)15(18)11-14/h4-11H,3,12H2,1-2H3
InChIKeyJEBXMTUTPQRPIW-UHFFFAOYSA-N
XLogP4.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-ethyl-4-methoxy-N-propylbenzamide
CID 60738275
3-bromo-N-butyl-N-ethyl-4-methoxybenzamide
CID 60667723
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507
N-benzyl-3-bromo-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911773
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
1-(3-bromo-4-methoxyphenyl)-2-phenylethanone
CID 43339868
N-benzyl-N-ethyl-2,4,6-trimethoxybenzamide
CID 110764638
4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide
CID 56511790
N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
N-benzyl-4-carbamothioyl-N-ethylbenzamide
CID 28983877
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
N-benzyl-3-bromo-4-methyl-N-propylbenzamide
CID 81458013

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide?
The IUPAC name of N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide (CID 60660630) is N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide.
What is the SMILES notation for N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide?
The canonical SMILES for N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide is CCN(Cc1ccccc1)C(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide?
The InChIKey is JEBXMTUTPQRPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-3-19(12-13-7-5-4-6-8-13)17(20)14-9-10-16(21-2)15(18)11-14/h4-11H,3,12H2,1-2H3.
What are the key properties of N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide?
N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide has a molecular weight of 348.24 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide is sourced from PubChem (CID 60660630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).