N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide

C13H7BrClFN2O3 — CID 103753653

IUPACN-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide
SMILESO=C(Nc1cc(F)ccc1Br)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H7BrClFN2O3/c14-10-3-1-7(16)5-12(10)17-13(19)9-6-8(18(20)21)2-4-11(9)15/h1-6H,(H,17,19)
InChIKeyBGEBSSAWYZPEQX-UHFFFAOYSA-N
MW373.57 g/mol
LogP4.40
Rot. Bonds3

About N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide

N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide (PubChem CID 103753653) has the molecular formula C13H7BrClFN2O3 and a molecular weight of 373.57 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide
PubChem CID103753653
Molecular FormulaC13H7BrClFN2O3
Molecular Weight373.57 g/mol
Exact Mass371.93
IUPAC NameN-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide
SMILESO=C(Nc1cc(F)ccc1Br)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H7BrClFN2O3/c14-10-3-1-7(16)5-12(10)17-13(19)9-6-8(18(20)21)2-4-11(9)15/h1-6H,(H,17,19)
InChIKeyBGEBSSAWYZPEQX-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

2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244
N-(2-bromo-5-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 81270163
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
N-(2-bromo-5-fluorophenyl)-3-chloro-2-nitrobenzamide
CID 103753378
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-nitrobenzamide
CID 60527019
N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 62908559
N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide
CID 127502598
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
5-bromo-2-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1338128
2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide
CID 107988324
2-[(2-bromo-4-fluorobenzoyl)amino]-5-nitrobenzoic acid
CID 16771403
N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide
CID 81495048

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide (CID 103753653) is N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide is O=C(Nc1cc(F)ccc1Br)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide?
The InChIKey is BGEBSSAWYZPEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2O3/c14-10-3-1-7(16)5-12(10)17-13(19)9-6-8(18(20)21)2-4-11(9)15/h1-6H,(H,17,19).
What are the key properties of N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide?
N-(2-bromo-5-fluorophenyl)-2-chloro-5-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-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide is sourced from PubChem (CID 103753653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).