2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C17H18BrClN2O2 — CID 55437326

IUPAC2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C17H18BrClN2O2/c1-23-14-5-2-12(3-6-14)8-9-20-17(22)11-21-16-7-4-13(18)10-15(16)19/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)
InChIKeyLGQFMSBSXKMHMO-UHFFFAOYSA-N
MW397.70 g/mol
LogP3.88
Rot. Bonds7

About 2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 55437326) has the molecular formula C17H18BrClN2O2 and a molecular weight of 397.70 g/mol. Its IUPAC name is 2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID55437326
Molecular FormulaC17H18BrClN2O2
Molecular Weight397.70 g/mol
Exact Mass396.02
IUPAC Name2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C17H18BrClN2O2/c1-23-14-5-2-12(3-6-14)8-9-20-17(22)11-21-16-7-4-13(18)10-15(16)19/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)
InChIKeyLGQFMSBSXKMHMO-UHFFFAOYSA-N
XLogP3.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.70
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 109001310
4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline
CID 43347330
2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 26437643
2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 26437572
N-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109001307
2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 109001296
2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60690990
2-[(4-bromophenyl)methylsulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2971850
2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1287772
2-(4-bromo-2-chloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 33169745
1-[2-(3-bromophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901593
2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65264125

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 55437326) is 2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CNc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is LGQFMSBSXKMHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O2/c1-23-14-5-2-12(3-6-14)8-9-20-17(22)11-21-16-7-4-13(18)10-15(16)19/h2-7,10,21H,8-9,11H2,1H3,(H,20,22).
What are the key properties of 2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 397.70 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 55437326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).