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

C22H19BrClNO2 — CID 92679394

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc([C@@H](NC(=O)COc2ccc(Cl)cc2Br)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(24)13-19(20)23/h2-13,22H,14H2,1H3,(H,25,26)/t22-/m0/s1
InChIKeyQKUABDZECDRJGQ-QFIPXVFZSA-N
MW444.76 g/mol
LogP5.70
Rot. Bonds6

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

2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide (PubChem CID 92679394) has the molecular formula C22H19BrClNO2 and a molecular weight of 444.76 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
PubChem CID92679394
Molecular FormulaC22H19BrClNO2
Molecular Weight444.76 g/mol
Exact Mass443.03
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc([C@@H](NC(=O)COc2ccc(Cl)cc2Br)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(24)13-19(20)23/h2-13,22H,14H2,1H3,(H,25,26)/t22-/m0/s1
InChIKeyQKUABDZECDRJGQ-QFIPXVFZSA-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-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92683432
2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43917017
2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 99950620
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 132762003
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
2-(2-ethoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 8798273
(2R)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 79011222
2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43926563
2-(2-bromo-4-chlorophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4217698
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]butanedioic acid
CID 78910185
2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43876879
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide (CID 92679394) is 2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide is Cc1ccc([C@@H](NC(=O)COc2ccc(Cl)cc2Br)c2ccccc2)cc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is QKUABDZECDRJGQ-QFIPXVFZSA-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(24)13-19(20)23/h2-13,22H,14H2,1H3,(H,25,26)/t22-/m0/s1.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[(S)-(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-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 92679394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).