2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide

C14H20ClNO3 — CID 106141392

IUPAC2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
SMILESCC(C)(CCCO)CNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-14(2,6-3-7-17)9-16-13(19)11-8-10(18)4-5-12(11)15/h4-5,8,17-18H,3,6-7,9H2,1-2H3,(H,16,19)
InChIKeyUMZPZJDQUVHGKK-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.57
Rot. Bonds6

About 2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide

2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide (PubChem CID 106141392) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
PubChem CID106141392
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
SMILESCC(C)(CCCO)CNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-14(2,6-3-7-17)9-16-13(19)11-8-10(18)4-5-12(11)15/h4-5,8,17-18H,3,6-7,9H2,1-2H3,(H,16,19)
InChIKeyUMZPZJDQUVHGKK-UHFFFAOYSA-N
XLogP2.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106139698
N-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide
CID 106143650
2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899579
2-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 113348236
2-bromo-5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899354
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899859
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748
3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899701
N-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide
CID 106141044
5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 106139408
N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide
CID 103899589
5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide
CID 103899328

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide (CID 106141392) is 2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide is CC(C)(CCCO)CNC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide?
The InChIKey is UMZPZJDQUVHGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-14(2,6-3-7-17)9-16-13(19)11-8-10(18)4-5-12(11)15/h4-5,8,17-18H,3,6-7,9H2,1-2H3,(H,16,19).
What are the key properties of 2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide?
2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide has a molecular weight of 285.77 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide is sourced from PubChem (CID 106141392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).