N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide

C14H10BrF2NO2 — CID 47317531

IUPACN-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H10BrF2NO2/c1-20-13-5-2-8(15)6-12(13)18-14(19)10-4-3-9(16)7-11(10)17/h2-7H,1H3,(H,18,19)
InChIKeyJCZROTFWJMFKSW-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.99
Rot. Bonds3

About N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide

N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide (PubChem CID 47317531) has the molecular formula C14H10BrF2NO2 and a molecular weight of 342.14 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide
PubChem CID47317531
Molecular FormulaC14H10BrF2NO2
Molecular Weight342.14 g/mol
Exact Mass340.99
IUPAC NameN-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H10BrF2NO2/c1-20-13-5-2-8(15)6-12(13)18-14(19)10-4-3-9(16)7-11(10)17/h2-7H,1H3,(H,18,19)
InChIKeyJCZROTFWJMFKSW-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

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-2,5-difluorobenzamide
CID 61074380
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
N-(5-bromo-2-methoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298790
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 64949895
4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid
CID 60917051
N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide
CID 33307531
N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 62515870
2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide
CID 9191956
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-difluorobenzamide
CID 7924034
3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide
CID 47317753
4-amino-N-(5-bromo-2-methoxyphenyl)-3,5-difluorobenzamide
CID 63185721

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide (CID 47317531) is N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide is COc1ccc(Br)cc1NC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide?
The InChIKey is JCZROTFWJMFKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO2/c1-20-13-5-2-8(15)6-12(13)18-14(19)10-4-3-9(16)7-11(10)17/h2-7H,1H3,(H,18,19).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide?
N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide 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-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide is sourced from PubChem (CID 47317531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).