N-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide

C23H21BrFNO4 — CID 27716942

IUPACN-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide
SMILESCOc1ccc(C(NC(=O)COc2ccc(Br)cc2F)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H21BrFNO4/c1-28-18-8-3-15(4-9-18)23(16-5-10-19(29-2)11-6-16)26-22(27)14-30-21-12-7-17(24)13-20(21)25/h3-13,23H,14H2,1-2H3,(H,26,27)
InChIKeyMCFKRSREYUFJQK-UHFFFAOYSA-N
MW474.33 g/mol
LogP4.89
Rot. Bonds8

About N-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide

N-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide (PubChem CID 27716942) has the molecular formula C23H21BrFNO4 and a molecular weight of 474.33 g/mol. Its IUPAC name is N-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide
PubChem CID27716942
Molecular FormulaC23H21BrFNO4
Molecular Weight474.33 g/mol
Exact Mass473.06
IUPAC NameN-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide
SMILESCOc1ccc(C(NC(=O)COc2ccc(Br)cc2F)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H21BrFNO4/c1-28-18-8-3-15(4-9-18)23(16-5-10-19(29-2)11-6-16)26-22(27)14-30-21-12-7-17(24)13-20(21)25/h3-13,23H,14H2,1-2H3,(H,26,27)
InChIKeyMCFKRSREYUFJQK-UHFFFAOYSA-N
XLogP4.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.33
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 28958551
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-2-(3,4-difluorophenyl)acetic acid
CID 91647068
2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7500246
(2S)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]butanedioic acid
CID 112732904
2-(2-bromo-4-fluorophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18115468
N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide
CID 43060292
2-(4-bromo-2-fluorophenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide
CID 56524740
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
CID 47113835
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 26929895
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 55583125
N-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 19171974

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide?
The IUPAC name of N-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide (CID 27716942) is N-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide?
The canonical SMILES for N-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide is COc1ccc(C(NC(=O)COc2ccc(Br)cc2F)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide?
The InChIKey is MCFKRSREYUFJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrFNO4/c1-28-18-8-3-15(4-9-18)23(16-5-10-19(29-2)11-6-16)26-22(27)14-30-21-12-7-17(24)13-20(21)25/h3-13,23H,14H2,1-2H3,(H,26,27).
What are the key properties of N-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide?
N-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide has a molecular weight of 474.33 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide is sourced from PubChem (CID 27716942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).