4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide

C13H18ClNO2 — CID 63957648

IUPAC4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)N(C)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H18ClNO2/c1-5-13(2,3)15(4)12(17)10-7-6-9(14)8-11(10)16/h6-8,16H,5H2,1-4H3
InChIKeyRDDKWLWYXKORRQ-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.31
Rot. Bonds3

About 4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide

4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide (PubChem CID 63957648) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide
PubChem CID63957648
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)N(C)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H18ClNO2/c1-5-13(2,3)15(4)12(17)10-7-6-9(14)8-11(10)16/h6-8,16H,5H2,1-4H3
InChIKeyRDDKWLWYXKORRQ-UHFFFAOYSA-N
XLogP3.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide
CID 63965618
4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62335326
4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide
CID 115611590
4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide
CID 81055002
4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide
CID 103189268
4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 54942659
2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
CID 107988364
N-(2-bromopropyl)-4-chloro-2-hydroxy-N-methylbenzamide
CID 80666240
2-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)benzamide
CID 63962505
3-bromo-5-chloro-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 103827088
3-chloro-4-methyl-5-[methyl(2-methylbutan-2-yl)carbamoyl]benzenesulfonyl chloride
CID 107100677
2,3-dichloro-N-methyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 65388491

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide (CID 63957648) is 4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)N(C)C(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is RDDKWLWYXKORRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-5-13(2,3)15(4)12(17)10-7-6-9(14)8-11(10)16/h6-8,16H,5H2,1-4H3.
What are the key properties of 4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide?
4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 255.75 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 63957648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).