4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide

C17H14F4INO2 — CID 38905531

IUPAC4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1I
InChIInChI=1S/C17H14F4INO2/c1-2-7-25-15-6-3-10(17(19,20)21)8-14(15)23-16(24)12-5-4-11(18)9-13(12)22/h3-6,8-9H,2,7H2,1H3,(H,23,24)
InChIKeyDKDVFHVGQCLAKF-UHFFFAOYSA-N
MW467.20 g/mol
LogP5.49
Rot. Bonds5

About 4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide

4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 38905531) has the molecular formula C17H14F4INO2 and a molecular weight of 467.20 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
PubChem CID38905531
Molecular FormulaC17H14F4INO2
Molecular Weight467.20 g/mol
Exact Mass467.00
IUPAC Name4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1I
InChIInChI=1S/C17H14F4INO2/c1-2-7-25-15-6-3-10(17(19,20)21)8-14(15)23-16(24)12-5-4-11(18)9-13(12)22/h3-6,8-9H,2,7H2,1H3,(H,23,24)
InChIKeyDKDVFHVGQCLAKF-UHFFFAOYSA-N
XLogP5.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.20
LogP ≤ 55.49
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

4-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175480
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
N-[2-propoxy-5-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 17398504
5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 36667250
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 55811519
5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide
CID 54787114
2-(2-acetamidophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7867264
2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 78777880
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide
CID 1232472
4-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672202

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide (CID 38905531) is 4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is DKDVFHVGQCLAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4INO2/c1-2-7-25-15-6-3-10(17(19,20)21)8-14(15)23-16(24)12-5-4-11(18)9-13(12)22/h3-6,8-9H,2,7H2,1H3,(H,23,24).
What are the key properties of 4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide?
4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 467.20 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 38905531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).