2-(4-bromophenyl)-N-(2-fluoro-5-nitrophenyl)acetamide

C14H10BrFN2O3 — CID 1346700

IUPAC2-(4-bromophenyl)-N-(2-fluoro-5-nitrophenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H10BrFN2O3/c15-10-3-1-9(2-4-10)7-14(19)17-13-8-11(18(20)21)5-6-12(13)16/h1-6,8H,7H2,(H,17,19)
InChIKeySTXLWUKUPYYRMU-UHFFFAOYSA-N
MW353.15 g/mol
LogP3.68
Rot. Bonds4

About 2-(4-bromophenyl)-N-(2-fluoro-5-nitrophenyl)acetamide

2-(4-bromophenyl)-N-(2-fluoro-5-nitrophenyl)acetamide (PubChem CID 1346700) has the molecular formula C14H10BrFN2O3 and a molecular weight of 353.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-fluoro-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-fluoro-5-nitrophenyl)acetamide
PubChem CID1346700
Molecular FormulaC14H10BrFN2O3
Molecular Weight353.15 g/mol
Exact Mass351.99
IUPAC Name2-(4-bromophenyl)-N-(2-fluoro-5-nitrophenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H10BrFN2O3/c15-10-3-1-9(2-4-10)7-14(19)17-13-8-11(18(20)21)5-6-12(13)16/h1-6,8H,7H2,(H,17,19)
InChIKeySTXLWUKUPYYRMU-UHFFFAOYSA-N
XLogP3.68
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.15
LogP ≤ 53.68
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

Benzeneacetamide, N-(3-nitrophenyl)-
CID 531991
N-(3-nitrophenyl)-3-phenylpropanamide
CID 245648
2-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 807624
N-(4-bromophenyl)-3,5-dinitrobenzamide
CID 2831821
4-bromo-N-[3-(propionylamino)phenyl]benzamide
CID 4197877
4-fluoro-N-(3-nitrophenyl)benzamide
CID 531958
N-(4-fluoro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 797948
2-(4-methylphenyl)-N-(3-nitrophenyl)acetamide
CID 890189
N-(3-bromophenyl)-2-(4-nitrophenyl)propanamide
CID 2944252
N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide
CID 2944771
N-(4-fluoro-3-nitrophenyl)-3-phenylpropanamide
CID 3919312
N-(3-nitrophenyl)-4-phenylbutanamide
CID 885889

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2-fluoro-5-nitrophenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2-fluoro-5-nitrophenyl)acetamide (CID 1346700) is 2-(4-bromophenyl)-N-(2-fluoro-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-fluoro-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-fluoro-5-nitrophenyl)acetamide is O=C(Cc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-fluoro-5-nitrophenyl)acetamide?
The InChIKey is STXLWUKUPYYRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O3/c15-10-3-1-9(2-4-10)7-14(19)17-13-8-11(18(20)21)5-6-12(13)16/h1-6,8H,7H2,(H,17,19).
What are the key properties of 2-(4-bromophenyl)-N-(2-fluoro-5-nitrophenyl)acetamide?
2-(4-bromophenyl)-N-(2-fluoro-5-nitrophenyl)acetamide has a molecular weight of 353.15 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-fluoro-5-nitrophenyl)acetamide is sourced from PubChem (CID 1346700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).