5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide

C17H10BrFINO — CID 17111228

IUPAC5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(I)cc1F)c1cccc2c(Br)cccc12
InChIInChI=1S/C17H10BrFINO/c18-14-6-2-3-11-12(14)4-1-5-13(11)17(22)21-16-8-7-10(20)9-15(16)19/h1-9H,(H,21,22)
InChIKeyPEWXWFVDJAHZNU-UHFFFAOYSA-N
MW470.08 g/mol
LogP5.60
Rot. Bonds2

About 5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide

5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide (PubChem CID 17111228) has the molecular formula C17H10BrFINO and a molecular weight of 470.08 g/mol. Its IUPAC name is 5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide
PubChem CID17111228
Molecular FormulaC17H10BrFINO
Molecular Weight470.08 g/mol
Exact Mass468.90
IUPAC Name5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(I)cc1F)c1cccc2c(Br)cccc12
InChIInChI=1S/C17H10BrFINO/c18-14-6-2-3-11-12(14)4-1-5-13(11)17(22)21-16-8-7-10(20)9-15(16)19/h1-9H,(H,21,22)
InChIKeyPEWXWFVDJAHZNU-UHFFFAOYSA-N
XLogP5.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.08
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-4-iodophenyl)-2-methylbenzamide
CID 17102074
5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide
CID 3491041
5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide
CID 3475796
N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 64795170
5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 95733477
3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide
CID 150172306
3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid
CID 28668607
5-bromonaphthalene-1-carbohydrazide
CID 22115886
N-(2-fluoro-4-iodophenyl)-3-methylbenzamide
CID 17102075
2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide
CID 15592636
5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide
CID 1369979
5-bromo-N-[4-(2-methylpropanoylamino)phenyl]naphthalene-1-carboxamide
CID 1298059

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide?
The IUPAC name of 5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide (CID 17111228) is 5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide?
The canonical SMILES for 5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide is O=C(Nc1ccc(I)cc1F)c1cccc2c(Br)cccc12.
What is the InChIKey of 5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide?
The InChIKey is PEWXWFVDJAHZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrFINO/c18-14-6-2-3-11-12(14)4-1-5-13(11)17(22)21-16-8-7-10(20)9-15(16)19/h1-9H,(H,21,22).
What are the key properties of 5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide?
5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide has a molecular weight of 470.08 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 17111228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).