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

C22H19BrClNO2 — CID 43917017

IUPAC2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)COc2ccc(Br)cc2Cl)c2ccccc2)cc1
InChIInChI=1S/C22H19BrClNO2/c1-15-7-9-17(10-8-15)22(16-5-3-2-4-6-16)25-21(26)14-27-20-12-11-18(23)13-19(20)24/h2-13,22H,14H2,1H3,(H,25,26)
InChIKeyLVGVCBWORFMFHV-UHFFFAOYSA-N
MW444.76 g/mol
LogP5.70
Rot. Bonds6

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

2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide (PubChem CID 43917017) has the molecular formula C22H19BrClNO2 and a molecular weight of 444.76 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
PubChem CID43917017
Molecular FormulaC22H19BrClNO2
Molecular Weight444.76 g/mol
Exact Mass443.03
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)COc2ccc(Br)cc2Cl)c2ccccc2)cc1
InChIInChI=1S/C22H19BrClNO2/c1-15-7-9-17(10-8-15)22(16-5-3-2-4-6-16)25-21(26)14-27-20-12-11-18(23)13-19(20)24/h2-13,22H,14H2,1H3,(H,25,26)
InChIKeyLVGVCBWORFMFHV-UHFFFAOYSA-N
XLogP5.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.76
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 92679394
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461596
[(2R)-2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-2-phenylethyl]-dimethylazanium
CID 8937811
N-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 19171974
2-(2-ethoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 8798273
2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7809627
2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 99950620
2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43926563
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 132762003
2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263709
N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide
CID 19169265
2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 4633044

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide (CID 43917017) is 2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide is Cc1ccc(C(NC(=O)COc2ccc(Br)cc2Cl)c2ccccc2)cc1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is LVGVCBWORFMFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrClNO2/c1-15-7-9-17(10-8-15)22(16-5-3-2-4-6-16)25-21(26)14-27-20-12-11-18(23)13-19(20)24/h2-13,22H,14H2,1H3,(H,25,26).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide?
2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 444.76 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 43917017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).