3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide

C14H9BrF3NO2 — CID 62814066

IUPAC3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1Br
InChIInChI=1S/C14H9BrF3NO2/c1-21-12-3-2-7(4-9(12)15)14(20)19-8-5-10(16)13(18)11(17)6-8/h2-6H,1H3,(H,19,20)
InChIKeyNOSLXSURTSMAJR-UHFFFAOYSA-N
MW360.13 g/mol
LogP4.13
Rot. Bonds3

About 3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide

3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 62814066) has the molecular formula C14H9BrF3NO2 and a molecular weight of 360.13 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID62814066
Molecular FormulaC14H9BrF3NO2
Molecular Weight360.13 g/mol
Exact Mass358.98
IUPAC Name3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1Br
InChIInChI=1S/C14H9BrF3NO2/c1-21-12-3-2-7(4-9(12)15)14(20)19-8-5-10(16)13(18)11(17)6-8/h2-6H,1H3,(H,19,20)
InChIKeyNOSLXSURTSMAJR-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.13
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
4-bromo-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzamide
CID 63997805
4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide
CID 104782866
3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide
CID 167951842
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
N-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide
CID 61033191
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide
CID 103706313
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 79765984
3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
CID 4941361
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide (CID 62814066) is 3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide is COc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is NOSLXSURTSMAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO2/c1-21-12-3-2-7(4-9(12)15)14(20)19-8-5-10(16)13(18)11(17)6-8/h2-6H,1H3,(H,19,20).
What are the key properties of 3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide?
3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 360.13 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 62814066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).