4-bromo-2-fluoro-N-[(3-iodophenyl)carbamoyl]benzamide

C14H9BrFIN2O2 — CID 168875364

IUPAC4-bromo-2-fluoro-N-[(3-iodophenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccc(Br)cc1F)Nc1cccc(I)c1
InChIInChI=1S/C14H9BrFIN2O2/c15-8-4-5-11(12(16)6-8)13(20)19-14(21)18-10-3-1-2-9(17)7-10/h1-7H,(H2,18,19,20,21)
InChIKeyIPLKKNOBGAZQNL-UHFFFAOYSA-N
MW463.04 g/mol
LogP4.15
Rot. Bonds2

About 4-bromo-2-fluoro-N-[(3-iodophenyl)carbamoyl]benzamide

4-bromo-2-fluoro-N-[(3-iodophenyl)carbamoyl]benzamide (PubChem CID 168875364) has the molecular formula C14H9BrFIN2O2 and a molecular weight of 463.04 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[(3-iodophenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[(3-iodophenyl)carbamoyl]benzamide
PubChem CID168875364
Molecular FormulaC14H9BrFIN2O2
Molecular Weight463.04 g/mol
Exact Mass461.89
IUPAC Name4-bromo-2-fluoro-N-[(3-iodophenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccc(Br)cc1F)Nc1cccc(I)c1
InChIInChI=1S/C14H9BrFIN2O2/c15-8-4-5-11(12(16)6-8)13(20)19-14(21)18-10-3-1-2-9(17)7-10/h1-7H,(H2,18,19,20,21)
InChIKeyIPLKKNOBGAZQNL-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.04
LogP ≤ 54.15
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

5-bromo-2-iodo-N-(3-iodophenyl)benzamide
CID 103600021
4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 9072559
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
5-bromo-N-(3-iodophenyl)-2-methylbenzamide
CID 65308257
N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzamide
CID 55167424
2,3-difluoro-N-(3-iodophenyl)benzamide
CID 62650350
4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 26691585
4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 18089577
1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea
CID 47103689
2-bromo-5-[(3-iodophenyl)carbamoylamino]benzoic acid
CID 115296659
4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide
CID 33154064
4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide
CID 26692195

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[(3-iodophenyl)carbamoyl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-[(3-iodophenyl)carbamoyl]benzamide (CID 168875364) is 4-bromo-2-fluoro-N-[(3-iodophenyl)carbamoyl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[(3-iodophenyl)carbamoyl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[(3-iodophenyl)carbamoyl]benzamide is O=C(NC(=O)c1ccc(Br)cc1F)Nc1cccc(I)c1.
What is the InChIKey of 4-bromo-2-fluoro-N-[(3-iodophenyl)carbamoyl]benzamide?
The InChIKey is IPLKKNOBGAZQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFIN2O2/c15-8-4-5-11(12(16)6-8)13(20)19-14(21)18-10-3-1-2-9(17)7-10/h1-7H,(H2,18,19,20,21).
What are the key properties of 4-bromo-2-fluoro-N-[(3-iodophenyl)carbamoyl]benzamide?
4-bromo-2-fluoro-N-[(3-iodophenyl)carbamoyl]benzamide has a molecular weight of 463.04 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[(3-iodophenyl)carbamoyl]benzamide is sourced from PubChem (CID 168875364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).