2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide

C18H19Cl2NO2 — CID 110280061

IUPAC2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCC(C)c1ccc(C(O)CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-11(2)12-3-5-13(6-4-12)17(22)10-21-18(23)15-8-7-14(19)9-16(15)20/h3-9,11,17,22H,10H2,1-2H3,(H,21,23)
InChIKeyBIZCGFLENRNQKL-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.58
Rot. Bonds5

About 2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide

2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide (PubChem CID 110280061) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide
PubChem CID110280061
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCC(C)c1ccc(C(O)CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-11(2)12-3-5-13(6-4-12)17(22)10-21-18(23)15-8-7-14(19)9-16(15)20/h3-9,11,17,22H,10H2,1-2H3,(H,21,23)
InChIKeyBIZCGFLENRNQKL-UHFFFAOYSA-N
XLogP4.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 167783306
3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
CID 62676717
2,4-dichloro-N-(2-ethylbutyl)benzamide
CID 84513268
N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide
CID 43461425
4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 51681217
2,4-dichloro-N-[1-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 42908907
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 43498535
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
2,4-dichloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230027
2-chloro-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]benzamide
CID 111427451
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide (CID 110280061) is 2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide is CC(C)c1ccc(C(O)CNC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide?
The InChIKey is BIZCGFLENRNQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-11(2)12-3-5-13(6-4-12)17(22)10-21-18(23)15-8-7-14(19)9-16(15)20/h3-9,11,17,22H,10H2,1-2H3,(H,21,23).
What are the key properties of 2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide?
2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide has a molecular weight of 352.26 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 110280061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).