3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide

C11H11F3INO2 — CID 104629259

IUPAC3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide
SMILESO=C(NCCCC(F)(F)F)c1ccc(I)c(O)c1
InChIInChI=1S/C11H11F3INO2/c12-11(13,14)4-1-5-16-10(18)7-2-3-8(15)9(17)6-7/h2-3,6,17H,1,4-5H2,(H,16,18)
InChIKeyMZWXOPZWIKSAEO-UHFFFAOYSA-N
MW373.11 g/mol
LogP3.07
Rot. Bonds4

About 3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide

3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide (PubChem CID 104629259) has the molecular formula C11H11F3INO2 and a molecular weight of 373.11 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide
PubChem CID104629259
Molecular FormulaC11H11F3INO2
Molecular Weight373.11 g/mol
Exact Mass372.98
IUPAC Name3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide
SMILESO=C(NCCCC(F)(F)F)c1ccc(I)c(O)c1
InChIInChI=1S/C11H11F3INO2/c12-11(13,14)4-1-5-16-10(18)7-2-3-8(15)9(17)6-7/h2-3,6,17H,1,4-5H2,(H,16,18)
InChIKeyMZWXOPZWIKSAEO-UHFFFAOYSA-N
XLogP3.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.11
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
CID 103873578
3-hydroxy-4-iodo-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 104627726
4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 79039211
N-hexyl-3-hydroxy-4-iodobenzamide
CID 104627562
2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 113246125
N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104628967
N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide
CID 104627387
N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide
CID 107168316
1,1-difluoro-2-[(3-hydroxy-4-iodobenzoyl)amino]ethanesulfonic acid
CID 167388367
4-bromo-3-methyl-N-(4,4,4-trifluorobutyl)benzamide
CID 113339239
3-amino-4-chloro-N-(4,4,4-trifluorobutyl)benzamide
CID 113326613
4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide
CID 115522193

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide (CID 104629259) is 3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide is O=C(NCCCC(F)(F)F)c1ccc(I)c(O)c1.
What is the InChIKey of 3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide?
The InChIKey is MZWXOPZWIKSAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3INO2/c12-11(13,14)4-1-5-16-10(18)7-2-3-8(15)9(17)6-7/h2-3,6,17H,1,4-5H2,(H,16,18).
What are the key properties of 3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide?
3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide has a molecular weight of 373.11 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide is sourced from PubChem (CID 104629259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).