N-(4-bromo-2,5-difluorophenyl)-3-methoxybenzamide

C14H10BrF2NO2 — CID 2725892

IUPACN-(4-bromo-2,5-difluorophenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(F)c(Br)cc2F)c1
InChIInChI=1S/C14H10BrF2NO2/c1-20-9-4-2-3-8(5-9)14(19)18-13-7-11(16)10(15)6-12(13)17/h2-7H,1H3,(H,18,19)
InChIKeyJCZYDBAEXUPWJR-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.99
Rot. Bonds3

About N-(4-bromo-2,5-difluorophenyl)-3-methoxybenzamide

N-(4-bromo-2,5-difluorophenyl)-3-methoxybenzamide (PubChem CID 2725892) has the molecular formula C14H10BrF2NO2 and a molecular weight of 342.14 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-3-methoxybenzamide
PubChem CID2725892
Molecular FormulaC14H10BrF2NO2
Molecular Weight342.14 g/mol
Exact Mass340.99
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(F)c(Br)cc2F)c1
InChIInChI=1S/C14H10BrF2NO2/c1-20-9-4-2-3-8(5-9)14(19)18-13-7-11(16)10(15)6-12(13)17/h2-7H,1H3,(H,18,19)
InChIKeyJCZYDBAEXUPWJR-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-3-methoxybenzamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-3-methoxybenzamide (CID 2725892) is N-(4-bromo-2,5-difluorophenyl)-3-methoxybenzamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-3-methoxybenzamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc(F)c(Br)cc2F)c1.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-3-methoxybenzamide?
The InChIKey is JCZYDBAEXUPWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO2/c1-20-9-4-2-3-8(5-9)14(19)18-13-7-11(16)10(15)6-12(13)17/h2-7H,1H3,(H,18,19).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-3-methoxybenzamide?
N-(4-bromo-2,5-difluorophenyl)-3-methoxybenzamide has a molecular weight of 342.14 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-3-methoxybenzamide is sourced from PubChem (CID 2725892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).