4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide

C15H22ClNO2 — CID 103899859

IUPAC4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C15H22ClNO2/c1-11-9-12(16)5-6-13(11)14(19)17-10-15(2,3)7-4-8-18/h5-6,9,18H,4,7-8,10H2,1-3H3,(H,17,19)
InChIKeyWMSMLJYWRRVXSI-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.18
Rot. Bonds6

About 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide

4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide (PubChem CID 103899859) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
PubChem CID103899859
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C15H22ClNO2/c1-11-9-12(16)5-6-13(11)14(19)17-10-15(2,3)7-4-8-18/h5-6,9,18H,4,7-8,10H2,1-3H3,(H,17,19)
InChIKeyWMSMLJYWRRVXSI-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899354
5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 106139408
N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide
CID 103899541
N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide
CID 106140917
2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 106141392
2-bromo-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103825239
3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899582
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 103899472
2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899579
5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 82890585
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748
4-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-methylbenzamide
CID 106144494

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide?
The IUPAC name of 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide (CID 103899859) is 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide?
The canonical SMILES for 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide is Cc1cc(Cl)ccc1C(=O)NCC(C)(C)CCCO.
What is the InChIKey of 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide?
The InChIKey is WMSMLJYWRRVXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11-9-12(16)5-6-13(11)14(19)17-10-15(2,3)7-4-8-18/h5-6,9,18H,4,7-8,10H2,1-3H3,(H,17,19).
What are the key properties of 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide?
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide has a molecular weight of 283.80 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide is sourced from PubChem (CID 103899859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).