N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2-chlorophenoxy)acetamide

C21H17Cl2NO3 — CID 95733655

IUPACN-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1
InChIInChI=1S/C21H17Cl2NO3/c22-15-10-11-18(16(12-15)21(26)14-6-2-1-3-7-14)24-20(25)13-27-19-9-5-4-8-17(19)23/h1-12,21,26H,13H2,(H,24,25)/t21-/m1/s1
InChIKeyYIRKRWWFZPGGFJ-OAQYLSRUSA-N
MW402.28 g/mol
LogP5.09
Rot. Bonds6

About N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2-chlorophenoxy)acetamide

N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2-chlorophenoxy)acetamide (PubChem CID 95733655) has the molecular formula C21H17Cl2NO3 and a molecular weight of 402.28 g/mol. Its IUPAC name is N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2-chlorophenoxy)acetamide
PubChem CID95733655
Molecular FormulaC21H17Cl2NO3
Molecular Weight402.28 g/mol
Exact Mass401.06
IUPAC NameN-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1
InChIInChI=1S/C21H17Cl2NO3/c22-15-10-11-18(16(12-15)21(26)14-6-2-1-3-7-14)24-20(25)13-27-19-9-5-4-8-17(19)23/h1-12,21,26H,13H2,(H,24,25)/t21-/m1/s1
InChIKeyYIRKRWWFZPGGFJ-OAQYLSRUSA-N
XLogP5.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.28
LogP ≤ 55.09
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-phenylphenoxy)acetamide
CID 95733672
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 95733658
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 95733640
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide
CID 126837112
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide
CID 50882557
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 98128992
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 95557632
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733551
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-3,4,5-triethoxybenzamide
CID 95733607

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2-chlorophenoxy)acetamide (CID 95733655) is N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2-chlorophenoxy)acetamide is O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2-chlorophenoxy)acetamide?
The InChIKey is YIRKRWWFZPGGFJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H17Cl2NO3/c22-15-10-11-18(16(12-15)21(26)14-6-2-1-3-7-14)24-20(25)13-27-19-9-5-4-8-17(19)23/h1-12,21,26H,13H2,(H,24,25)/t21-/m1/s1.
What are the key properties of N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2-chlorophenoxy)acetamide?
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2-chlorophenoxy)acetamide has a molecular weight of 402.28 g/mol, XLogP of 5.09, 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-chlorophenoxy)acetamide is sourced from PubChem (CID 95733655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).