N-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide

C15H13FINO2 — CID 104627922

IUPACN-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide
SMILESCCN(C(=O)c1ccc(I)c(O)c1)c1ccccc1F
InChIInChI=1S/C15H13FINO2/c1-2-18(13-6-4-3-5-11(13)16)15(20)10-7-8-12(17)14(19)9-10/h3-9,19H,2H2,1H3
InChIKeySWXULBSYXWDDGU-UHFFFAOYSA-N
MW385.18 g/mol
LogP3.80
Rot. Bonds3

About N-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide

N-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide (PubChem CID 104627922) has the molecular formula C15H13FINO2 and a molecular weight of 385.18 g/mol. Its IUPAC name is N-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide
PubChem CID104627922
Molecular FormulaC15H13FINO2
Molecular Weight385.18 g/mol
Exact Mass385.00
IUPAC NameN-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide
SMILESCCN(C(=O)c1ccc(I)c(O)c1)c1ccccc1F
InChIInChI=1S/C15H13FINO2/c1-2-18(13-6-4-3-5-11(13)16)15(20)10-7-8-12(17)14(19)9-10/h3-9,19H,2H2,1H3
InChIKeySWXULBSYXWDDGU-UHFFFAOYSA-N
XLogP3.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956769
N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide
CID 104627675
N-ethyl-N-(2-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 62174207
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 104627951
N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide
CID 104627791
N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107027791
N-(2-aminophenyl)-N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79737146
4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide
CID 107075078
N-ethyl-3-hydroxy-4-iodo-N-prop-2-ynylbenzamide
CID 104627858
N-ethyl-N-(3-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956480
3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide
CID 106544595

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide (CID 104627922) is N-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide is CCN(C(=O)c1ccc(I)c(O)c1)c1ccccc1F.
What is the InChIKey of N-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide?
The InChIKey is SWXULBSYXWDDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FINO2/c1-2-18(13-6-4-3-5-11(13)16)15(20)10-7-8-12(17)14(19)9-10/h3-9,19H,2H2,1H3.
What are the key properties of N-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide?
N-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide has a molecular weight of 385.18 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 104627922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).