N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide

C14H11BrFIN2O — CID 79768515

IUPACN-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide
SMILESO=C(CNc1ccc(F)cc1I)Nc1ccccc1Br
InChIInChI=1S/C14H11BrFIN2O/c15-10-3-1-2-4-12(10)19-14(20)8-18-13-6-5-9(16)7-11(13)17/h1-7,18H,8H2,(H,19,20)
InChIKeyDDBGTJCOSVYXTL-UHFFFAOYSA-N
MW449.06 g/mol
LogP4.24
Rot. Bonds4

About N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide

N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide (PubChem CID 79768515) has the molecular formula C14H11BrFIN2O and a molecular weight of 449.06 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide
PubChem CID79768515
Molecular FormulaC14H11BrFIN2O
Molecular Weight449.06 g/mol
Exact Mass447.91
IUPAC NameN-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide
SMILESO=C(CNc1ccc(F)cc1I)Nc1ccccc1Br
InChIInChI=1S/C14H11BrFIN2O/c15-10-3-1-2-4-12(10)19-14(20)8-18-13-6-5-9(16)7-11(13)17/h1-7,18H,8H2,(H,19,20)
InChIKeyDDBGTJCOSVYXTL-UHFFFAOYSA-N
XLogP4.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.06
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-fluoroanilino)-N-(2-methylphenyl)acetamide
CID 28939357
2-anilino-N-(2-bromo-4-fluorophenyl)acetamide
CID 60860763
N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109042099
2-(4-fluoro-2-iodoanilino)acetic acid
CID 79769086
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide
CID 34648957
N-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769241
N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079697
2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79768847
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
2-(3-fluoroanilino)-N-(2-iodophenyl)acetamide
CID 26506350
2-(4-chloro-2-iodoanilino)-N-(2-chlorophenyl)acetamide
CID 107635253
2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide
CID 79769575

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide (CID 79768515) is N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide is O=C(CNc1ccc(F)cc1I)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide?
The InChIKey is DDBGTJCOSVYXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFIN2O/c15-10-3-1-2-4-12(10)19-14(20)8-18-13-6-5-9(16)7-11(13)17/h1-7,18H,8H2,(H,19,20).
What are the key properties of N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide?
N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide has a molecular weight of 449.06 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide is sourced from PubChem (CID 79768515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).