5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide

C14H20ClNO2 — CID 103842862

IUPAC5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
SMILESCCCC(C)(O)CNC(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C14H20ClNO2/c1-4-7-14(3,18)9-16-13(17)12-8-11(15)6-5-10(12)2/h5-6,8,18H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyRLMRJXIKHKMBMW-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.93
Rot. Bonds5

About 5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide

5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide (PubChem CID 103842862) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
PubChem CID103842862
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
SMILESCCCC(C)(O)CNC(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C14H20ClNO2/c1-4-7-14(3,18)9-16-13(17)12-8-11(15)6-5-10(12)2/h5-6,8,18H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyRLMRJXIKHKMBMW-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 113240365
5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 82890585
4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 103760453
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide
CID 103712881
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide
CID 106289291
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide
CID 103712693
2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
CID 90498520
3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240344
N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide
CID 103712986
3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113363841
N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide
CID 66168188
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 115532800

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide?
The IUPAC name of 5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide (CID 103842862) is 5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide is CCCC(C)(O)CNC(=O)c1cc(Cl)ccc1C.
What is the InChIKey of 5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide?
The InChIKey is RLMRJXIKHKMBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-7-14(3,18)9-16-13(17)12-8-11(15)6-5-10(12)2/h5-6,8,18H,4,7,9H2,1-3H3,(H,16,17).
What are the key properties of 5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide?
5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide has a molecular weight of 269.77 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide is sourced from PubChem (CID 103842862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).