N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide

C15H11BrN2O2 — CID 7818711

IUPACN-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H11BrN2O2/c16-12-3-5-13(6-4-12)18-15(19)10-20-14-7-1-11(9-17)2-8-14/h1-8H,10H2,(H,18,19)
InChIKeyKQPOZPMLYZGOTJ-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.34
Rot. Bonds4

About N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide

N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide (PubChem CID 7818711) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
PubChem CID7818711
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC NameN-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H11BrN2O2/c16-12-3-5-13(6-4-12)18-15(19)10-20-14-7-1-11(9-17)2-8-14/h1-8H,10H2,(H,18,19)
InChIKeyKQPOZPMLYZGOTJ-UHFFFAOYSA-N
XLogP3.34
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 3473577
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140419
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
2-(4-bromophenoxy)-N-[(4-cyanophenyl)carbamothioyl]acetamide
CID 3340919
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
CID 43824284
N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
CID 55027089
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
2-(4-bromophenoxy)ethyl-[2-(4-cyanoanilino)-2-oxoethyl]-methylazanium
CID 9288880
2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 8744068
methyl 4-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 1034299

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide (CID 7818711) is N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide is N#Cc1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide?
The InChIKey is KQPOZPMLYZGOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c16-12-3-5-13(6-4-12)18-15(19)10-20-14-7-1-11(9-17)2-8-14/h1-8H,10H2,(H,18,19).
What are the key properties of N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide?
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide has a molecular weight of 331.17 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide is sourced from PubChem (CID 7818711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).