2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide

C19H22ClNO2 — CID 52906943

IUPAC2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
SMILESC[C@](O)(CCc1ccccc1)CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2/c1-19(23,12-11-15-5-3-2-4-6-15)14-21-18(22)13-16-7-9-17(20)10-8-16/h2-10,23H,11-14H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyOKWJGOWZDUGBEJ-IBGZPJMESA-N
MW331.84 g/mol
LogP3.38
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide

2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide (PubChem CID 52906943) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
PubChem CID52906943
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
SMILESC[C@](O)(CCc1ccccc1)CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2/c1-19(23,12-11-15-5-3-2-4-6-15)14-21-18(22)13-16-7-9-17(20)10-8-16/h2-10,23H,11-14H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyOKWJGOWZDUGBEJ-IBGZPJMESA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide
CID 90498486
N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498674
2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
CID 90498520
4-[[2-(4-chlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001714
2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide
CID 110663977
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide
CID 90498459
2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66168619
2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110146
2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
CID 90498490
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide
CID 90498445
2-(4-butylphenyl)-N-(2-hydroxy-2-methylpentyl)acetamide
CID 103712966
N'-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498676

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide (CID 52906943) is 2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide is C[C@](O)(CCc1ccccc1)CNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide?
The InChIKey is OKWJGOWZDUGBEJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-19(23,12-11-15-5-3-2-4-6-15)14-21-18(22)13-16-7-9-17(20)10-8-16/h2-10,23H,11-14H2,1H3,(H,21,22)/t19-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide?
2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide has a molecular weight of 331.84 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide is sourced from PubChem (CID 52906943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).