N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide

C22H18Br2ClNO3 — CID 98128992

IUPACN-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1
InChIInChI=1S/C22H18Br2ClNO3/c1-13-9-15(23)10-18(24)22(13)29-12-20(27)26-19-8-7-16(25)11-17(19)21(28)14-5-3-2-4-6-14/h2-11,21,28H,12H2,1H3,(H,26,27)/t21-/m1/s1
InChIKeyIQXFRAFFCJQFRP-OAQYLSRUSA-N
MW539.65 g/mol
LogP6.27
Rot. Bonds6

About N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide

N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide (PubChem CID 98128992) has the molecular formula C22H18Br2ClNO3 and a molecular weight of 539.65 g/mol. Its IUPAC name is N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
PubChem CID98128992
Molecular FormulaC22H18Br2ClNO3
Molecular Weight539.65 g/mol
Exact Mass536.93
IUPAC NameN-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1
InChIInChI=1S/C22H18Br2ClNO3/c1-13-9-15(23)10-18(24)22(13)29-12-20(27)26-19-8-7-16(25)11-17(19)21(28)14-5-3-2-4-6-14/h2-11,21,28H,12H2,1H3,(H,26,27)/t21-/m1/s1
InChIKeyIQXFRAFFCJQFRP-OAQYLSRUSA-N
XLogP6.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.65
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 95733640
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2-chlorophenoxy)acetamide
CID 95733655
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 95733658
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-phenylphenoxy)acetamide
CID 95733672
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide
CID 126837112
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide
CID 50882557
2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150905
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093492
2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 23909609
2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 19180419

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The IUPAC name of N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide (CID 98128992) is N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The canonical SMILES for N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide is Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The InChIKey is IQXFRAFFCJQFRP-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H18Br2ClNO3/c1-13-9-15(23)10-18(24)22(13)29-12-20(27)26-19-8-7-16(25)11-17(19)21(28)14-5-3-2-4-6-14/h2-11,21,28H,12H2,1H3,(H,26,27)/t21-/m1/s1.
What are the key properties of N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide has a molecular weight of 539.65 g/mol, XLogP of 6.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide is sourced from PubChem (CID 98128992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).