2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide

C19H22ClNO2 — CID 90498486

IUPAC2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C19H22ClNO2/c1-19(23,12-11-15-7-3-2-4-8-15)14-21-18(22)13-16-9-5-6-10-17(16)20/h2-10,23H,11-14H2,1H3,(H,21,22)
InChIKeyIKWOOGZEQIHNDR-UHFFFAOYSA-N
MW331.84 g/mol
LogP3.38
Rot. Bonds7

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

2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide (PubChem CID 90498486) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide
PubChem CID90498486
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C19H22ClNO2/c1-19(23,12-11-15-7-3-2-4-8-15)14-21-18(22)13-16-9-5-6-10-17(16)20/h2-10,23H,11-14H2,1H3,(H,21,22)
InChIKeyIKWOOGZEQIHNDR-UHFFFAOYSA-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-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
CID 52906943
2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114916
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide
CID 90498459
2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
CID 90500955
1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide
CID 90498609
2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
CID 90498490
2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
CID 90498520
N'-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498676
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide
CID 90498445
methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate
CID 113254769
N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498674
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide
CID 52992676

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide (CID 90498486) is 2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide is CC(O)(CCc1ccccc1)CNC(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide?
The InChIKey is IKWOOGZEQIHNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-19(23,12-11-15-7-3-2-4-8-15)14-21-18(22)13-16-9-5-6-10-17(16)20/h2-10,23H,11-14H2,1H3,(H,21,22).
What are the key properties of 2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide?
2-(2-chlorophenyl)-N-(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-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide is sourced from PubChem (CID 90498486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).