2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide

C14H12BrClN2O2 — CID 1287444

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NCc1ccncc1
InChIInChI=1S/C14H12BrClN2O2/c15-12-7-11(16)1-2-13(12)20-9-14(19)18-8-10-3-5-17-6-4-10/h1-7H,8-9H2,(H,18,19)
InChIKeyQAVPRUFGGAMARF-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.19
Rot. Bonds5

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

2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 1287444) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID1287444
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NCc1ccncc1
InChIInChI=1S/C14H12BrClN2O2/c15-12-7-11(16)1-2-13(12)20-9-14(19)18-8-10-3-5-17-6-4-10/h1-7H,8-9H2,(H,18,19)
InChIKeyQAVPRUFGGAMARF-UHFFFAOYSA-N
XLogP3.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993156
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065
2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 744767
2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 46799156
2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 2620956
2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide
CID 46447882
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid
CID 43091937
2-(2,4-difluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 25236315
2-[2-(benzylamino)-2-oxoethoxy]-5-chlorobenzoic acid
CID 45417869
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7975078
methyl 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]propanoate
CID 17401669
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807752

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide (CID 1287444) is 2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide is O=C(COc1ccc(Cl)cc1Br)NCc1ccncc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is QAVPRUFGGAMARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c15-12-7-11(16)1-2-13(12)20-9-14(19)18-8-10-3-5-17-6-4-10/h1-7H,8-9H2,(H,18,19).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide?
2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 355.62 g/mol, XLogP of 3.19, 5 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-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 1287444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).