2-[4-chloro-2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide

C24H25ClN2O3 — CID 51996467

IUPAC2-[4-chloro-2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Cl)cc2CNC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C24H25ClN2O3/c1-17-7-10-21(11-8-17)27-24(29)16-30-23-12-9-20(25)13-19(23)14-26-15-22(28)18-5-3-2-4-6-18/h2-13,22,26,28H,14-16H2,1H3,(H,27,29)/t22-/m0/s1
InChIKeyCMEKTGPWQVUWKO-QFIPXVFZSA-N
MW424.93 g/mol
LogP4.49
Rot. Bonds9

About 2-[4-chloro-2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide

2-[4-chloro-2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 51996467) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is 2-[4-chloro-2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID51996467
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC Name2-[4-chloro-2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Cl)cc2CNC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C24H25ClN2O3/c1-17-7-10-21(11-8-17)27-24(29)16-30-23-12-9-20(25)13-19(23)14-26-15-22(28)18-5-3-2-4-6-18/h2-13,22,26,28H,14-16H2,1H3,(H,27,29)/t22-/m0/s1
InChIKeyCMEKTGPWQVUWKO-QFIPXVFZSA-N
XLogP4.49
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-2-[(3,5-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539842
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 43277899
2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66526372
2-[2-bromo-4-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 51987236
2-[5-chloro-2-ethoxy-4-[(2-hydroxypropylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66531999
N-(4-chlorophenyl)-2-[(2-hydroxy-2-phenylethyl)amino]acetamide
CID 43389783
2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide
CID 60906318
2-[4-chloro-2-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51986965
2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66538843
2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide
CID 4593347
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
2-[2-(anilinomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 66538833

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-chloro-2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide (CID 51996467) is 2-[4-chloro-2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(Cl)cc2CNC[C@H](O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-chloro-2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is CMEKTGPWQVUWKO-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-17-7-10-21(11-8-17)27-24(29)16-30-23-12-9-20(25)13-19(23)14-26-15-22(28)18-5-3-2-4-6-18/h2-13,22,26,28H,14-16H2,1H3,(H,27,29)/t22-/m0/s1.
What are the key properties of 2-[4-chloro-2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide?
2-[4-chloro-2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 424.93 g/mol, XLogP of 4.49, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 51996467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).