2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide

C16H15BrClNO2 — CID 1289065

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C16H15BrClNO2/c1-11-2-4-12(5-3-11)9-19-16(20)10-21-15-7-6-13(18)8-14(15)17/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyOQALTTCOVORZPX-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.11
Rot. Bonds5

About 2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 1289065) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID1289065
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C16H15BrClNO2/c1-11-2-4-12(5-3-11)9-19-16(20)10-21-15-7-6-13(18)8-14(15)17/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyOQALTTCOVORZPX-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 988892
2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 1287444
2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 46761764
2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 5039239
2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 744767
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-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 3624933
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7975078
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 92679394
2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
CID 19201316

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide (CID 1289065) is 2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)COc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is OQALTTCOVORZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-11-2-4-12(5-3-11)9-19-16(20)10-21-15-7-6-13(18)8-14(15)17/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 368.66 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 1289065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).