5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide

C14H11BrClFN2O2 — CID 107608763

IUPAC5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C14H11BrClFN2O2/c1-21-12-3-2-8(18)6-9(12)14(20)19-13-10(15)4-7(17)5-11(13)16/h2-6H,18H2,1H3,(H,19,20)
InChIKeyZDNFQLPDYLAVGU-UHFFFAOYSA-N
MW373.61 g/mol
LogP4.08
Rot. Bonds3

About 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide

5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide (PubChem CID 107608763) has the molecular formula C14H11BrClFN2O2 and a molecular weight of 373.61 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide
PubChem CID107608763
Molecular FormulaC14H11BrClFN2O2
Molecular Weight373.61 g/mol
Exact Mass371.97
IUPAC Name5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C14H11BrClFN2O2/c1-21-12-3-2-8(18)6-9(12)14(20)19-13-10(15)4-7(17)5-11(13)16/h2-6H,18H2,1H3,(H,19,20)
InChIKeyZDNFQLPDYLAVGU-UHFFFAOYSA-N
XLogP4.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide
CID 107608774
5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide
CID 61094355
5-amino-N-(2-bromo-4-chlorophenyl)-2-methoxybenzamide
CID 81262169
4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide
CID 43168230
5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83080978
N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide
CID 100828602
5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
CID 61093558
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzamide
CID 107616854
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
CID 107470673
5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 28983950
5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide
CID 61139839

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide?
The IUPAC name of 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide (CID 107608763) is 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide is COc1ccc(N)cc1C(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide?
The InChIKey is ZDNFQLPDYLAVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O2/c1-21-12-3-2-8(18)6-9(12)14(20)19-13-10(15)4-7(17)5-11(13)16/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide?
5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide has a molecular weight of 373.61 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide is sourced from PubChem (CID 107608763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).