N-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide

C14H9BrF3NO2 — CID 91730460

IUPACN-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide
SMILESCOc1c(F)c(F)cc(C(=O)Nc2ccc(Br)cc2)c1F
InChIInChI=1S/C14H9BrF3NO2/c1-21-13-11(17)9(6-10(16)12(13)18)14(20)19-8-4-2-7(15)3-5-8/h2-6H,1H3,(H,19,20)
InChIKeyJIZGNYVSUYKYAF-UHFFFAOYSA-N
MW360.13 g/mol
LogP4.13
Rot. Bonds3

About N-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide

N-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide (PubChem CID 91730460) has the molecular formula C14H9BrF3NO2 and a molecular weight of 360.13 g/mol. Its IUPAC name is N-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide
PubChem CID91730460
Molecular FormulaC14H9BrF3NO2
Molecular Weight360.13 g/mol
Exact Mass358.98
IUPAC NameN-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide
SMILESCOc1c(F)c(F)cc(C(=O)Nc2ccc(Br)cc2)c1F
InChIInChI=1S/C14H9BrF3NO2/c1-21-13-11(17)9(6-10(16)12(13)18)14(20)19-8-4-2-7(15)3-5-8/h2-6H,1H3,(H,19,20)
InChIKeyJIZGNYVSUYKYAF-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_1', 'substructure': 'N/A'}

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Related Compounds

2,4,5-trifluoro-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286618
N-[2-(dimethylamino)pyrimidin-5-yl]-2,4,5-trifluoro-3-methoxybenzamide
CID 122298010
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
2,4,5-trifluoro-3-methoxybenzoyl chloride
CID 2775281
2,4,5-trifluoro-3-methoxy-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309080
3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide
CID 24640379
N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
CID 7960826
N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 5153550
3-bromo-5-chloro-N-(4-chlorophenyl)-2-methoxybenzamide
CID 67556921
2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide
CID 3448469
3-fluoro-N-(4-fluorophenyl)-2-methoxybenzamide
CID 175986233
5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
CID 105285229

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide?
The IUPAC name of N-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide (CID 91730460) is N-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide.
What is the SMILES notation for N-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide?
The canonical SMILES for N-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide is COc1c(F)c(F)cc(C(=O)Nc2ccc(Br)cc2)c1F.
What is the InChIKey of N-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide?
The InChIKey is JIZGNYVSUYKYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO2/c1-21-13-11(17)9(6-10(16)12(13)18)14(20)19-8-4-2-7(15)3-5-8/h2-6H,1H3,(H,19,20).
What are the key properties of N-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide?
N-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide 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 N-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide is sourced from PubChem (CID 91730460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).