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

C22H20ClNO4 — CID 95733658

IUPACN-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C22H20ClNO4/c1-27-17-8-10-18(11-9-17)28-14-21(25)24-20-12-7-16(23)13-19(20)22(26)15-5-3-2-4-6-15/h2-13,22,26H,14H2,1H3,(H,24,25)/t22-/m1/s1
InChIKeyXRSFHICUZNCWCO-JOCHJYFZSA-N
MW397.86 g/mol
LogP4.45
Rot. Bonds7

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

N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 95733658) has the molecular formula C22H20ClNO4 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-methoxyphenoxy)acetamide
PubChem CID95733658
Molecular FormulaC22H20ClNO4
Molecular Weight397.86 g/mol
Exact Mass397.11
IUPAC NameN-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C22H20ClNO4/c1-27-17-8-10-18(11-9-17)28-14-21(25)24-20-12-7-16(23)13-19(20)22(26)15-5-3-2-4-6-15/h2-13,22,26H,14H2,1H3,(H,24,25)/t22-/m1/s1
InChIKeyXRSFHICUZNCWCO-JOCHJYFZSA-N
XLogP4.45
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-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-[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-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733551
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 98128992
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxybenzamide
CID 95362021
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 95733665
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 95733664
5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 50882360
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 95557632

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-methoxyphenoxy)acetamide (CID 95733658) is N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1.
What is the InChIKey of N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is XRSFHICUZNCWCO-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H20ClNO4/c1-27-17-8-10-18(11-9-17)28-14-21(25)24-20-12-7-16(23)13-19(20)22(26)15-5-3-2-4-6-15/h2-13,22,26H,14H2,1H3,(H,24,25)/t22-/m1/s1.
What are the key properties of N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-methoxyphenoxy)acetamide?
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 397.86 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 95733658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).