3-bromo-2-fluoro-N-phenylmethoxybenzamide

C14H11BrFNO2 — CID 106544153

IUPAC3-bromo-2-fluoro-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1cccc(Br)c1F
InChIInChI=1S/C14H11BrFNO2/c15-12-8-4-7-11(13(12)16)14(18)17-19-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)
InChIKeyUDXCQJZYIFTOIO-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.45
Rot. Bonds4

About 3-bromo-2-fluoro-N-phenylmethoxybenzamide

3-bromo-2-fluoro-N-phenylmethoxybenzamide (PubChem CID 106544153) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-phenylmethoxybenzamide
PubChem CID106544153
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name3-bromo-2-fluoro-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1cccc(Br)c1F
InChIInChI=1S/C14H11BrFNO2/c15-12-8-4-7-11(13(12)16)14(18)17-19-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)
InChIKeyUDXCQJZYIFTOIO-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-ethoxy-2-fluorobenzamide
CID 106547791
2,3,4-trifluoro-N-phenylmethoxybenzamide
CID 79749238
2-bromo-5-methyl-N-phenylmethoxybenzamide
CID 80962365
2-bromo-5-methoxy-N-phenylmethoxybenzamide
CID 41248162
4-bromo-N-phenylmethoxybenzamide
CID 41450559
N-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52775190
2,4,6-trifluoro-N-phenylmethoxybenzamide
CID 65100420
3-bromo-N-cyclopentyloxy-2-fluorobenzamide
CID 106544780
benzyl 2,3-difluorobenzoate
CID 62867579
N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide
CID 106548051
4-[(3-bromo-2-fluorobenzoyl)amino]butanoic acid
CID 107948926
2-chloro-3-nitro-N-phenylmethoxybenzamide
CID 107856439

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-phenylmethoxybenzamide?
The IUPAC name of 3-bromo-2-fluoro-N-phenylmethoxybenzamide (CID 106544153) is 3-bromo-2-fluoro-N-phenylmethoxybenzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-phenylmethoxybenzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-phenylmethoxybenzamide is O=C(NOCc1ccccc1)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-phenylmethoxybenzamide?
The InChIKey is UDXCQJZYIFTOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-12-8-4-7-11(13(12)16)14(18)17-19-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18).
What are the key properties of 3-bromo-2-fluoro-N-phenylmethoxybenzamide?
3-bromo-2-fluoro-N-phenylmethoxybenzamide has a molecular weight of 324.15 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-phenylmethoxybenzamide is sourced from PubChem (CID 106544153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).