5-bromo-4-chloro-2-fluoro-N-(2-methoxy-6-methylphenyl)benzamide

C15H12BrClFNO2 — CID 68602705

IUPAC5-bromo-4-chloro-2-fluoro-N-(2-methoxy-6-methylphenyl)benzamide
SMILESCOc1cccc(C)c1NC(=O)c1cc(Br)c(Cl)cc1F
InChIInChI=1S/C15H12BrClFNO2/c1-8-4-3-5-13(21-2)14(8)19-15(20)9-6-10(16)11(17)7-12(9)18/h3-7H,1-2H3,(H,19,20)
InChIKeyIWFIKFLFWFZRQP-UHFFFAOYSA-N
MW372.62 g/mol
LogP4.81
Rot. Bonds3

About 5-bromo-4-chloro-2-fluoro-N-(2-methoxy-6-methylphenyl)benzamide

5-bromo-4-chloro-2-fluoro-N-(2-methoxy-6-methylphenyl)benzamide (PubChem CID 68602705) has the molecular formula C15H12BrClFNO2 and a molecular weight of 372.62 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-fluoro-N-(2-methoxy-6-methylphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-4-chloro-2-fluoro-N-(2-methoxy-6-methylphenyl)benzamide
PubChem CID68602705
Molecular FormulaC15H12BrClFNO2
Molecular Weight372.62 g/mol
Exact Mass370.97
IUPAC Name5-bromo-4-chloro-2-fluoro-N-(2-methoxy-6-methylphenyl)benzamide
SMILESCOc1cccc(C)c1NC(=O)c1cc(Br)c(Cl)cc1F
InChIInChI=1S/C15H12BrClFNO2/c1-8-4-3-5-13(21-2)14(8)19-15(20)9-6-10(16)11(17)7-12(9)18/h3-7H,1-2H3,(H,19,20)
InChIKeyIWFIKFLFWFZRQP-UHFFFAOYSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.81
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

4-bromo-3-chloro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352699
5-chloro-N-(2-chloro-6-methylphenyl)-2-fluorobenzamide
CID 66254946
2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909354
N-(4-chloro-2,6-dimethylphenyl)-2-fluoro-4,5-dimethoxybenzamide
CID 75388476
4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 18089577
3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide
CID 106545841
(2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400302
2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide
CID 81499961
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 81481515
N-(4-bromo-2,6-difluorophenyl)-2-methoxybenzamide
CID 65499723
N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 113219145
N-(3-bromo-4-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 80712346

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-fluoro-N-(2-methoxy-6-methylphenyl)benzamide?
The IUPAC name of 5-bromo-4-chloro-2-fluoro-N-(2-methoxy-6-methylphenyl)benzamide (CID 68602705) is 5-bromo-4-chloro-2-fluoro-N-(2-methoxy-6-methylphenyl)benzamide.
What is the SMILES notation for 5-bromo-4-chloro-2-fluoro-N-(2-methoxy-6-methylphenyl)benzamide?
The canonical SMILES for 5-bromo-4-chloro-2-fluoro-N-(2-methoxy-6-methylphenyl)benzamide is COc1cccc(C)c1NC(=O)c1cc(Br)c(Cl)cc1F.
What is the InChIKey of 5-bromo-4-chloro-2-fluoro-N-(2-methoxy-6-methylphenyl)benzamide?
The InChIKey is IWFIKFLFWFZRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO2/c1-8-4-3-5-13(21-2)14(8)19-15(20)9-6-10(16)11(17)7-12(9)18/h3-7H,1-2H3,(H,19,20).
What are the key properties of 5-bromo-4-chloro-2-fluoro-N-(2-methoxy-6-methylphenyl)benzamide?
5-bromo-4-chloro-2-fluoro-N-(2-methoxy-6-methylphenyl)benzamide has a molecular weight of 372.62 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-fluoro-N-(2-methoxy-6-methylphenyl)benzamide is sourced from PubChem (CID 68602705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).