3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide

C16H15BrFNO4 — CID 110426879

IUPAC3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cc(F)cc(Br)c2)cc(OC)c1OC
InChIInChI=1S/C16H15BrFNO4/c1-21-13-7-12(8-14(22-2)15(13)23-3)19-16(20)9-4-10(17)6-11(18)5-9/h4-8H,1-3H3,(H,19,20)
InChIKeyHPHKPQJTGLDJCH-UHFFFAOYSA-N
MW384.20 g/mol
LogP3.87
Rot. Bonds5

About 3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide

3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 110426879) has the molecular formula C16H15BrFNO4 and a molecular weight of 384.20 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID110426879
Molecular FormulaC16H15BrFNO4
Molecular Weight384.20 g/mol
Exact Mass383.02
IUPAC Name3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cc(F)cc(Br)c2)cc(OC)c1OC
InChIInChI=1S/C16H15BrFNO4/c1-21-13-7-12(8-14(22-2)15(13)23-3)19-16(20)9-4-10(17)6-11(18)5-9/h4-8H,1-3H3,(H,19,20)
InChIKeyHPHKPQJTGLDJCH-UHFFFAOYSA-N
XLogP3.87
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.20
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 1267701
3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide
CID 47317753
3,5-dibromo-N-(3,5-difluorophenyl)benzamide
CID 107980035
3,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102136
5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide
CID 43424437
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
3-bromo-N-(3-chloro-2-methoxyphenyl)-5-fluorobenzamide
CID 47382946
3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 107980534
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
CID 63529818
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide (CID 110426879) is 3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(NC(=O)c2cc(F)cc(Br)c2)cc(OC)c1OC.
What is the InChIKey of 3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is HPHKPQJTGLDJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO4/c1-21-13-7-12(8-14(22-2)15(13)23-3)19-16(20)9-4-10(17)6-11(18)5-9/h4-8H,1-3H3,(H,19,20).
What are the key properties of 3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide?
3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 384.20 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 110426879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).