2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide

C14H18Cl2FNO2 — CID 103899579

IUPAC2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
SMILESCC(C)(CCCO)CNC(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2FNO2/c1-14(2,4-3-5-19)8-18-13(20)9-6-12(17)11(16)7-10(9)15/h6-7,19H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyHOWYJWSKLASGCN-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.66
Rot. Bonds6

About 2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide

2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide (PubChem CID 103899579) has the molecular formula C14H18Cl2FNO2 and a molecular weight of 322.21 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
PubChem CID103899579
Molecular FormulaC14H18Cl2FNO2
Molecular Weight322.21 g/mol
Exact Mass321.07
IUPAC Name2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
SMILESCC(C)(CCCO)CNC(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2FNO2/c1-14(2,4-3-5-19)8-18-13(20)9-6-12(17)11(16)7-10(9)15/h6-7,19H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyHOWYJWSKLASGCN-UHFFFAOYSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 106141392
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
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
N-(3-bromo-2,2-dimethylpropyl)-4-chloro-2,5-difluorobenzamide
CID 82773293
3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899582
2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 104920591
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748
4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide
CID 107318738
2-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 113348236
2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
CID 111480490
5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide
CID 106144546

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide (CID 103899579) is 2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide is CC(C)(CCCO)CNC(=O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide?
The InChIKey is HOWYJWSKLASGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2FNO2/c1-14(2,4-3-5-19)8-18-13(20)9-6-12(17)11(16)7-10(9)15/h6-7,19H,3-5,8H2,1-2H3,(H,18,20).
What are the key properties of 2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide?
2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide has a molecular weight of 322.21 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide is sourced from PubChem (CID 103899579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).