3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide

C13H7BrClFN2O3 — CID 103826554

IUPAC3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H7BrClFN2O3/c14-8-3-7(4-9(15)5-8)13(19)17-12-6-10(18(20)21)1-2-11(12)16/h1-6H,(H,17,19)
InChIKeyWUTUXJKUCQIVBC-UHFFFAOYSA-N
MW373.57 g/mol
LogP4.40
Rot. Bonds3

About 3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide

3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide (PubChem CID 103826554) has the molecular formula C13H7BrClFN2O3 and a molecular weight of 373.57 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
PubChem CID103826554
Molecular FormulaC13H7BrClFN2O3
Molecular Weight373.57 g/mol
Exact Mass371.93
IUPAC Name3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H7BrClFN2O3/c14-8-3-7(4-9(15)5-8)13(19)17-12-6-10(18(20)21)1-2-11(12)16/h1-6H,(H,17,19)
InChIKeyWUTUXJKUCQIVBC-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

3-bromo-5-chloro-N-(2-fluoro-4-nitrophenyl)benzamide
CID 103827004
5-bromo-2-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1338128
3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide
CID 107951900
3-bromo-5-chloro-N-(2-fluoro-5-methylphenyl)benzamide
CID 107951534
3-bromo-5-chloro-N-(2-nitrophenyl)benzamide
CID 107951960
N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
CID 18190863
3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 107938866
3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 104852061
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide
CID 23877677
4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide
CID 3342317
N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide
CID 4173118

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide (CID 103826554) is 3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide is O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide?
The InChIKey is WUTUXJKUCQIVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2O3/c14-8-3-7(4-9(15)5-8)13(19)17-12-6-10(18(20)21)1-2-11(12)16/h1-6H,(H,17,19).
What are the key properties of 3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide?
3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide 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 3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide is sourced from PubChem (CID 103826554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).