2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide

C14H9BrCl2FNO — CID 107982641

IUPAC2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c1Br
InChIInChI=1S/C14H9BrCl2FNO/c1-7-3-2-4-9(12(7)15)14(20)19-8-5-10(16)13(18)11(17)6-8/h2-6H,1H3,(H,19,20)
InChIKeyIXOPFVXAXINOSK-UHFFFAOYSA-N
MW377.04 g/mol
LogP5.46
Rot. Bonds2

About 2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide

2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide (PubChem CID 107982641) has the molecular formula C14H9BrCl2FNO and a molecular weight of 377.04 g/mol. Its IUPAC name is 2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide
PubChem CID107982641
Molecular FormulaC14H9BrCl2FNO
Molecular Weight377.04 g/mol
Exact Mass374.92
IUPAC Name2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c1Br
InChIInChI=1S/C14H9BrCl2FNO/c1-7-3-2-4-9(12(7)15)14(20)19-8-5-10(16)13(18)11(17)6-8/h2-6H,1H3,(H,19,20)
InChIKeyIXOPFVXAXINOSK-UHFFFAOYSA-N
XLogP5.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.04
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982593
N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide
CID 82884561
2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 114023836
N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
CID 107575419
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
2-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-methylbenzamide
CID 113434241
2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide
CID 107982586
N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 80711881
N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 82861951
2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
CID 103853347
2-bromo-3-methyl-N-pyridin-4-ylbenzamide
CID 103852962
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 81481515

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide (CID 107982641) is 2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c1Br.
What is the InChIKey of 2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide?
The InChIKey is IXOPFVXAXINOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2FNO/c1-7-3-2-4-9(12(7)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 2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide?
2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide has a molecular weight of 377.04 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide is sourced from PubChem (CID 107982641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).