2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide

C20H16BrClN2O2 — CID 46799156

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C20H16BrClN2O2/c21-18-12-16(22)3-6-19(18)26-13-20(25)24-17-4-1-14(2-5-17)11-15-7-9-23-10-8-15/h1-10,12H,11,13H2,(H,24,25)
InChIKeyGMPWYUQBSVSKHL-UHFFFAOYSA-N
MW431.72 g/mol
LogP5.11
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide (PubChem CID 46799156) has the molecular formula C20H16BrClN2O2 and a molecular weight of 431.72 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
PubChem CID46799156
Molecular FormulaC20H16BrClN2O2
Molecular Weight431.72 g/mol
Exact Mass430.01
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C20H16BrClN2O2/c21-18-12-16(22)3-6-19(18)26-13-20(25)24-17-4-1-14(2-5-17)11-15-7-9-23-10-8-15/h1-10,12H,11,13H2,(H,24,25)
InChIKeyGMPWYUQBSVSKHL-UHFFFAOYSA-N
XLogP5.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.72
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 1287444
2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide
CID 5229732
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 29276938
4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8807740
2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7708017
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340191
ethyl 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 5254135
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 25431218
N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231269
2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39190233
2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
CID 3306540

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide (CID 46799156) is 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide is O=C(COc1ccc(Cl)cc1Br)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
The InChIKey is GMPWYUQBSVSKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClN2O2/c21-18-12-16(22)3-6-19(18)26-13-20(25)24-17-4-1-14(2-5-17)11-15-7-9-23-10-8-15/h1-10,12H,11,13H2,(H,24,25).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide has a molecular weight of 431.72 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 46799156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).