N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide

C13H7BrClFN2O3 — CID 63658381

IUPACN-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H7BrClFN2O3/c14-7-4-5-10(9(16)6-7)17-13(19)12-8(15)2-1-3-11(12)18(20)21/h1-6H,(H,17,19)
InChIKeyCSMVYCGJIZVNMG-UHFFFAOYSA-N
MW373.57 g/mol
LogP4.40
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide

N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide (PubChem CID 63658381) has the molecular formula C13H7BrClFN2O3 and a molecular weight of 373.57 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide
PubChem CID63658381
Molecular FormulaC13H7BrClFN2O3
Molecular Weight373.57 g/mol
Exact Mass371.93
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H7BrClFN2O3/c14-7-4-5-10(9(16)6-7)17-13(19)12-8(15)2-1-3-11(12)18(20)21/h1-6H,(H,17,19)
InChIKeyCSMVYCGJIZVNMG-UHFFFAOYSA-N
XLogP4.40
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide
CID 1279612
N-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide
CID 43215688
N-(4-bromo-2-methylphenyl)-2-methyl-6-nitrobenzamide
CID 28880206
N-(4-bromo-2-fluorophenyl)-2,4-dinitrobenzamide
CID 3306901
2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-nitrobenzamide
CID 122150973
N-(4-bromo-2-fluorophenyl)-3,5-dinitrobenzamide
CID 4159361
N-(4-bromo-2-fluorophenyl)-4-methylsulfanyl-3-nitrobenzamide
CID 7771079
N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide
CID 82707621
N-[(3-bromophenyl)methyl]-2-chloro-6-nitrobenzamide
CID 63659649
N-(5-bromo-2-methylphenyl)-2-methyl-6-nitrobenzamide
CID 43806323
N-(4-bromo-2-chlorophenyl)-2-methyl-3-nitrobenzamide
CID 17311397
N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide
CID 103875003

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide (CID 63658381) is N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide is O=C(Nc1ccc(Br)cc1F)c1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide?
The InChIKey is CSMVYCGJIZVNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2O3/c14-7-4-5-10(9(16)6-7)17-13(19)12-8(15)2-1-3-11(12)18(20)21/h1-6H,(H,17,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide?
N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide has a molecular weight of 373.57 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide is sourced from PubChem (CID 63658381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).