2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

C19H19BrF2N2O3 — CID 26266099

IUPAC2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C19H19BrF2N2O3/c1-2-24(11-18(25)23-10-13-3-6-15(21)7-4-13)19(26)12-27-17-8-5-14(20)9-16(17)22/h3-9H,2,10-12H2,1H3,(H,23,25)
InChIKeyMERZVANVKNJCBE-UHFFFAOYSA-N
MW441.27 g/mol
LogP3.27
Rot. Bonds8

About 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 26266099) has the molecular formula C19H19BrF2N2O3 and a molecular weight of 441.27 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID26266099
Molecular FormulaC19H19BrF2N2O3
Molecular Weight441.27 g/mol
Exact Mass440.05
IUPAC Name2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C19H19BrF2N2O3/c1-2-24(11-18(25)23-10-13-3-6-15(21)7-4-13)19(26)12-27-17-8-5-14(20)9-16(17)22/h3-9H,2,10-12H2,1H3,(H,23,25)
InChIKeyMERZVANVKNJCBE-UHFFFAOYSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-bromophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 112777984
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26266195
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]acetic acid
CID 54900985
2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 27821749
2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2438719
2-[ethyl-[2-(4-iodophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 55326117
2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 7788103
2-(4-bromo-2-fluorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 28546890
2-(4-bromo-2-fluorophenoxy)-N-(cyanomethyl)-N-ethylacetamide
CID 47082970
2-(3,4-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 8960641
2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 2620956
3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide
CID 18280419

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 26266099) is 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COc1ccc(Br)cc1F.
What is the InChIKey of 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is MERZVANVKNJCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrF2N2O3/c1-2-24(11-18(25)23-10-13-3-6-15(21)7-4-13)19(26)12-27-17-8-5-14(20)9-16(17)22/h3-9H,2,10-12H2,1H3,(H,23,25).
What are the key properties of 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 441.27 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 26266099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).