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

C22H19BrClNO2 — CID 92683432

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccccc1[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1
InChIInChI=1S/C22H19BrClNO2/c1-15-7-5-6-10-18(15)22(16-8-3-2-4-9-16)25-21(26)14-27-20-12-11-17(24)13-19(20)23/h2-13,22H,14H2,1H3,(H,25,26)/t22-/m1/s1
InChIKeySQAGUBQWQPVXJX-JOCHJYFZSA-N
MW444.76 g/mol
LogP5.70
Rot. Bonds6

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

2-(2-bromo-4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (PubChem CID 92683432) has the molecular formula C22H19BrClNO2 and a molecular weight of 444.76 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
PubChem CID92683432
Molecular FormulaC22H19BrClNO2
Molecular Weight444.76 g/mol
Exact Mass443.03
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccccc1[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1
InChIInChI=1S/C22H19BrClNO2/c1-15-7-5-6-10-18(15)22(16-8-3-2-4-9-16)25-21(26)14-27-20-12-11-17(24)13-19(20)23/h2-13,22H,14H2,1H3,(H,25,26)/t22-/m1/s1
InChIKeySQAGUBQWQPVXJX-JOCHJYFZSA-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
2-(2-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 28632217
2-(4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92683311
2-(2,5-dimethylphenoxy)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43909084
2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43915739
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide
CID 55384972
2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 16544805
(2R)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 79011222
2-(2-bromo-4-chlorophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4217698
2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25386860
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]butanedioic acid
CID 78910185

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (CID 92683432) is 2-(2-bromo-4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is Cc1ccccc1[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is SQAGUBQWQPVXJX-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H19BrClNO2/c1-15-7-5-6-10-18(15)22(16-8-3-2-4-9-16)25-21(26)14-27-20-12-11-17(24)13-19(20)23/h2-13,22H,14H2,1H3,(H,25,26)/t22-/m1/s1.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[(R)-(2-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-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 92683432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).