2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide

C10H11BrFN3O3 — CID 66112618

IUPAC2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(F)c(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11BrFN3O3/c1-2-13-10(16)5-14-8-4-7(12)6(11)3-9(8)15(17)18/h3-4,14H,2,5H2,1H3,(H,13,16)
InChIKeyHNCHOWKQZGYMCB-UHFFFAOYSA-N
MW320.12 g/mol
LogP2.04
Rot. Bonds5

About 2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide

2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide (PubChem CID 66112618) has the molecular formula C10H11BrFN3O3 and a molecular weight of 320.12 g/mol. Its IUPAC name is 2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide
PubChem CID66112618
Molecular FormulaC10H11BrFN3O3
Molecular Weight320.12 g/mol
Exact Mass319.00
IUPAC Name2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(F)c(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11BrFN3O3/c1-2-13-10(16)5-14-8-4-7(12)6(11)3-9(8)15(17)18/h3-4,14H,2,5H2,1H3,(H,13,16)
InChIKeyHNCHOWKQZGYMCB-UHFFFAOYSA-N
XLogP2.04
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.12
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-bromo-5-fluoro-2-nitroanilino)-N,N-dimethylacetamide
CID 66110858
N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide
CID 86802918
2-(2,4-dinitroanilino)-N-ethylacetamide
CID 60653895
3-(4-bromo-5-fluoro-2-nitroanilino)-2,2-dimethylpropan-1-ol
CID 113294087
N-ethyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815913
N-ethyl-2-(3-fluoro-2-nitroanilino)acetamide
CID 60788724
2-[[2-(4-fluoro-5-methyl-2-nitroanilino)acetyl]amino]acetic acid
CID 103591117
2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide
CID 103843113
1-N-(4-bromo-5-fluoro-2-nitrophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 66111840
3-(4-bromo-5-fluoro-2-nitroanilino)-1,1-difluoropropan-2-ol
CID 114093822
N-ethyl-2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]acetamide
CID 43566420
5-(4-bromo-5-fluoro-2-nitroanilino)-4,4-dimethylpentan-1-ol
CID 106145185

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide?
The IUPAC name of 2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide (CID 66112618) is 2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide?
The canonical SMILES for 2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide is CCNC(=O)CNc1cc(F)c(Br)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide?
The InChIKey is HNCHOWKQZGYMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3O3/c1-2-13-10(16)5-14-8-4-7(12)6(11)3-9(8)15(17)18/h3-4,14H,2,5H2,1H3,(H,13,16).
What are the key properties of 2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide?
2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide has a molecular weight of 320.12 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide is sourced from PubChem (CID 66112618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).