N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide

C15H11BrN2O2 — CID 107276937

IUPACN-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1ccc(C#N)c(Br)c1
InChIInChI=1S/C15H11BrN2O2/c1-10(19)18-14-4-2-3-5-15(14)20-12-7-6-11(9-17)13(16)8-12/h2-8H,1H3,(H,18,19)
InChIKeyFXRQDZJGCAPEGI-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.07
Rot. Bonds3

About N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide

N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide (PubChem CID 107276937) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide
PubChem CID107276937
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC NameN-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1ccc(C#N)c(Br)c1
InChIInChI=1S/C15H11BrN2O2/c1-10(19)18-14-4-2-3-5-15(14)20-12-7-6-11(9-17)13(16)8-12/h2-8H,1H3,(H,18,19)
InChIKeyFXRQDZJGCAPEGI-UHFFFAOYSA-N
XLogP4.07
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-cyanophenoxy)benzoic acid
CID 107281295
2-bromo-4-(2-methylphenoxy)benzonitrile
CID 107276924
N-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide
CID 104717151
2-bromo-4-(2-chlorophenoxy)benzonitrile
CID 107276919
2-bromo-4-naphthalen-1-yloxybenzonitrile
CID 107276928
2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile
CID 107712390
N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide
CID 80510052
4-(3-amino-2-methylphenoxy)-2-bromobenzonitrile
CID 107280439
N-[2-(4-formyl-3-methylphenoxy)phenyl]acetamide
CID 62134240
N-[2-[4-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62946547
N-[2-(2-amino-5-cyanophenoxy)phenyl]acetamide
CID 104712475
N-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide
CID 83074567

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide?
The IUPAC name of N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide (CID 107276937) is N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide.
What is the SMILES notation for N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide?
The canonical SMILES for N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide is CC(=O)Nc1ccccc1Oc1ccc(C#N)c(Br)c1.
What is the InChIKey of N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide?
The InChIKey is FXRQDZJGCAPEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-10(19)18-14-4-2-3-5-15(14)20-12-7-6-11(9-17)13(16)8-12/h2-8H,1H3,(H,18,19).
What are the key properties of N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide?
N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide has a molecular weight of 331.17 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide is sourced from PubChem (CID 107276937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).