2-(2-bromo-4-fluorophenoxy)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide

C18H18BrClFNO2 — CID 18228064

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)C(NC(=O)COc1ccc(F)cc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C18H18BrClFNO2/c1-11(2)18(12-3-5-13(20)6-4-12)22-17(23)10-24-16-8-7-14(21)9-15(16)19/h3-9,11,18H,10H2,1-2H3,(H,22,23)
InChIKeyHNQOWIXNGGWTIL-UHFFFAOYSA-N
MW414.70 g/mol
LogP5.13
Rot. Bonds6

About 2-(2-bromo-4-fluorophenoxy)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide

2-(2-bromo-4-fluorophenoxy)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide (PubChem CID 18228064) has the molecular formula C18H18BrClFNO2 and a molecular weight of 414.70 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide
PubChem CID18228064
Molecular FormulaC18H18BrClFNO2
Molecular Weight414.70 g/mol
Exact Mass413.02
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)C(NC(=O)COc1ccc(F)cc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C18H18BrClFNO2/c1-11(2)18(12-3-5-13(20)6-4-12)22-17(23)10-24-16-8-7-14(21)9-15(16)19/h3-9,11,18H,10H2,1-2H3,(H,22,23)
InChIKeyHNQOWIXNGGWTIL-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.70
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964738
methyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 60637998
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
(2S)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 61137914
2-(2-bromo-4-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
CID 51202181
ethyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 61344943
(2R)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 79011222
N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-fluorophenoxy)acetamide
CID 18268544
2-(2-bromo-4-fluorophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7899911
(2S)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-propylpropanamide
CID 8733702
2-(2-bromo-4-fluorophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18115468
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-bromo-4-fluorophenoxy)acetamide
CID 18143447

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide (CID 18228064) is 2-(2-bromo-4-fluorophenoxy)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide is CC(C)C(NC(=O)COc1ccc(F)cc1Br)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide?
The InChIKey is HNQOWIXNGGWTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClFNO2/c1-11(2)18(12-3-5-13(20)6-4-12)22-17(23)10-24-16-8-7-14(21)9-15(16)19/h3-9,11,18H,10H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide?
2-(2-bromo-4-fluorophenoxy)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide has a molecular weight of 414.70 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 18228064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).