N-[4-bromo-5-ethoxy-2-[(4-ethylphenyl)methyl]phenyl]acetamide

C19H22BrNO2 — CID 69260062

IUPACN-[4-bromo-5-ethoxy-2-[(4-ethylphenyl)methyl]phenyl]acetamide
SMILESCCOc1cc(NC(C)=O)c(Cc2ccc(CC)cc2)cc1Br
InChIInChI=1S/C19H22BrNO2/c1-4-14-6-8-15(9-7-14)10-16-11-17(20)19(23-5-2)12-18(16)21-13(3)22/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)
InChIKeyAADVRUVQKDLIQB-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.96
Rot. Bonds6

About N-[4-bromo-5-ethoxy-2-[(4-ethylphenyl)methyl]phenyl]acetamide

N-[4-bromo-5-ethoxy-2-[(4-ethylphenyl)methyl]phenyl]acetamide (PubChem CID 69260062) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is N-[4-bromo-5-ethoxy-2-[(4-ethylphenyl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-bromo-5-ethoxy-2-[(4-ethylphenyl)methyl]phenyl]acetamide
PubChem CID69260062
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC NameN-[4-bromo-5-ethoxy-2-[(4-ethylphenyl)methyl]phenyl]acetamide
SMILESCCOc1cc(NC(C)=O)c(Cc2ccc(CC)cc2)cc1Br
InChIInChI=1S/C19H22BrNO2/c1-4-14-6-8-15(9-7-14)10-16-11-17(20)19(23-5-2)12-18(16)21-13(3)22/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)
InChIKeyAADVRUVQKDLIQB-UHFFFAOYSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-ethoxy-5-(hydroxymethyl)phenyl]acetamide
CID 82470650
N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide
CID 96673990
ethyl 4-acetamido-5-bromo-2-ethoxybenzoate
CID 162515859
(2-acetamidophenyl) 3-bromo-4-ethoxybenzoate
CID 23013408
N-[4-bromo-2-[(4-methoxyphenyl)methyl]-5-[(3S)-oxolan-3-yl]oxyphenyl]acetamide
CID 69260627
2-(3-acetamido-4-ethoxyphenyl)acetamide
CID 96674142
2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 119745056
3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide
CID 3960539
2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride
CID 119745055
methyl 2-bromo-5-chloro-4-[(4-ethoxyphenyl)methyl]benzoate
CID 89453336
N-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide
CID 156782356
1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene
CID 59243503

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-5-ethoxy-2-[(4-ethylphenyl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-bromo-5-ethoxy-2-[(4-ethylphenyl)methyl]phenyl]acetamide (CID 69260062) is N-[4-bromo-5-ethoxy-2-[(4-ethylphenyl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-bromo-5-ethoxy-2-[(4-ethylphenyl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-bromo-5-ethoxy-2-[(4-ethylphenyl)methyl]phenyl]acetamide is CCOc1cc(NC(C)=O)c(Cc2ccc(CC)cc2)cc1Br.
What is the InChIKey of N-[4-bromo-5-ethoxy-2-[(4-ethylphenyl)methyl]phenyl]acetamide?
The InChIKey is AADVRUVQKDLIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-4-14-6-8-15(9-7-14)10-16-11-17(20)19(23-5-2)12-18(16)21-13(3)22/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22).
What are the key properties of N-[4-bromo-5-ethoxy-2-[(4-ethylphenyl)methyl]phenyl]acetamide?
N-[4-bromo-5-ethoxy-2-[(4-ethylphenyl)methyl]phenyl]acetamide has a molecular weight of 376.29 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-5-ethoxy-2-[(4-ethylphenyl)methyl]phenyl]acetamide is sourced from PubChem (CID 69260062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).