3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide

C15H22FNO3 — CID 75441473

IUPAC3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)(C)CCCO)cc1F
InChIInChI=1S/C15H22FNO3/c1-15(2,7-4-8-18)10-17-14(19)11-5-6-13(20-3)12(16)9-11/h5-6,9,18H,4,7-8,10H2,1-3H3,(H,17,19)
InChIKeySDWSYOLDAXJQFG-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.36
Rot. Bonds7

About 3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide

3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide (PubChem CID 75441473) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide
PubChem CID75441473
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)(C)CCCO)cc1F
InChIInChI=1S/C15H22FNO3/c1-15(2,7-4-8-18)10-17-14(19)11-5-6-13(20-3)12(16)9-11/h5-6,9,18H,4,7-8,10H2,1-3H3,(H,17,19)
InChIKeySDWSYOLDAXJQFG-UHFFFAOYSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899582
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide
CID 106139342
3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172564
N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide
CID 106141080
N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide
CID 103899541
5-[(3-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897619
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide
CID 114296589
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
N-(5-bromo-2,2-dimethylpentyl)-4-chloro-3-fluorobenzamide
CID 106145651
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
N-(4-chloro-2,2-dimethylbutyl)-3,4-difluorobenzamide
CID 114149366

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide?
The IUPAC name of 3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide (CID 75441473) is 3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide.
What is the SMILES notation for 3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide?
The canonical SMILES for 3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide is COc1ccc(C(=O)NCC(C)(C)CCCO)cc1F.
What is the InChIKey of 3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide?
The InChIKey is SDWSYOLDAXJQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-15(2,7-4-8-18)10-17-14(19)11-5-6-13(20-3)12(16)9-11/h5-6,9,18H,4,7-8,10H2,1-3H3,(H,17,19).
What are the key properties of 3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide?
3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide has a molecular weight of 283.34 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide is sourced from PubChem (CID 75441473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).