N-[(5-bromo-2-methylphenyl)methyl]-N-(2-ethylphenyl)acetamide

C18H20BrNO — CID 143102971

IUPACN-[(5-bromo-2-methylphenyl)methyl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1N(Cc1cc(Br)ccc1C)C(C)=O
InChIInChI=1S/C18H20BrNO/c1-4-15-7-5-6-8-18(15)20(14(3)21)12-16-11-17(19)10-9-13(16)2/h5-11H,4,12H2,1-3H3
InChIKeyDFIVWPQQZBQCQK-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.87
Rot. Bonds4

About N-[(5-bromo-2-methylphenyl)methyl]-N-(2-ethylphenyl)acetamide

N-[(5-bromo-2-methylphenyl)methyl]-N-(2-ethylphenyl)acetamide (PubChem CID 143102971) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)methyl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)methyl]-N-(2-ethylphenyl)acetamide
PubChem CID143102971
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-[(5-bromo-2-methylphenyl)methyl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1N(Cc1cc(Br)ccc1C)C(C)=O
InChIInChI=1S/C18H20BrNO/c1-4-15-7-5-6-8-18(15)20(14(3)21)12-16-11-17(19)10-9-13(16)2/h5-11H,4,12H2,1-3H3
InChIKeyDFIVWPQQZBQCQK-UHFFFAOYSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide
CID 113178115
2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113178082
2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 113169176
N-(4-bromophenyl)-N-(2-ethylphenyl)-2-methylaniline
CID 118968846
2-(N-acetyl-2-ethylanilino)-N-(2-methylphenyl)acetamide
CID 113169101
N-(2-ethylphenyl)-N-[2-[(4-fluoro-3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058367
N-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide
CID 113062870
2-(N-acetyl-2-ethylanilino)-N-(2-methoxyethyl)acetamide
CID 113169024
1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea
CID 115169289
1-(5-bromo-2-methylphenyl)-3-chloropropan-2-one
CID 130766659
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115189906

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-N-(2-ethylphenyl)acetamide (CID 143102971) is N-[(5-bromo-2-methylphenyl)methyl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)methyl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)methyl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1N(Cc1cc(Br)ccc1C)C(C)=O.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)methyl]-N-(2-ethylphenyl)acetamide?
The InChIKey is DFIVWPQQZBQCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-4-15-7-5-6-8-18(15)20(14(3)21)12-16-11-17(19)10-9-13(16)2/h5-11H,4,12H2,1-3H3.
What are the key properties of N-[(5-bromo-2-methylphenyl)methyl]-N-(2-ethylphenyl)acetamide?
N-[(5-bromo-2-methylphenyl)methyl]-N-(2-ethylphenyl)acetamide has a molecular weight of 346.27 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)methyl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 143102971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).