2-(N-ethyl-4-fluoro-2-nitroanilino)-N-[(4-fluorophenyl)methyl]acetamide

C17H17F2N3O3 — CID 9113030

IUPAC2-(N-ethyl-4-fluoro-2-nitroanilino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17F2N3O3/c1-2-21(15-8-7-14(19)9-16(15)22(24)25)11-17(23)20-10-12-3-5-13(18)6-4-12/h3-9H,2,10-11H2,1H3,(H,20,23)
InChIKeyHQYNCXPRPQIMJQ-UHFFFAOYSA-N
MW349.34 g/mol
LogP3.02
Rot. Bonds7

About 2-(N-ethyl-4-fluoro-2-nitroanilino)-N-[(4-fluorophenyl)methyl]acetamide

2-(N-ethyl-4-fluoro-2-nitroanilino)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 9113030) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is 2-(N-ethyl-4-fluoro-2-nitroanilino)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-ethyl-4-fluoro-2-nitroanilino)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID9113030
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name2-(N-ethyl-4-fluoro-2-nitroanilino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17F2N3O3/c1-2-21(15-8-7-14(19)9-16(15)22(24)25)11-17(23)20-10-12-3-5-13(18)6-4-12/h3-9H,2,10-11H2,1H3,(H,20,23)
InChIKeyHQYNCXPRPQIMJQ-UHFFFAOYSA-N
XLogP3.02
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
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-(N-ethyl-2-nitro-4-sulfamoylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 16959542
2-(2-cyano-N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 133400790
ethyl 2-(N-ethyl-4-fluoro-2-nitroanilino)acetate
CID 62005884
2-(4-fluoro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide
CID 9183880
2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113178953
2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 9113458
2-[ethyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 78787600
2-[ethyl-[3-(4-nitrophenyl)-3-oxopropyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2095738
2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31371490
2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 11668012
2-(4-chloro-N-ethyl-2-nitroanilino)acetic acid
CID 54900140
3-(4-fluoro-N-methyl-2-nitroanilino)propanoic acid
CID 60986759

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-fluoro-2-nitroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(N-ethyl-4-fluoro-2-nitroanilino)-N-[(4-fluorophenyl)methyl]acetamide (CID 9113030) is 2-(N-ethyl-4-fluoro-2-nitroanilino)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-ethyl-4-fluoro-2-nitroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(N-ethyl-4-fluoro-2-nitroanilino)-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-(N-ethyl-4-fluoro-2-nitroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is HQYNCXPRPQIMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-2-21(15-8-7-14(19)9-16(15)22(24)25)11-17(23)20-10-12-3-5-13(18)6-4-12/h3-9H,2,10-11H2,1H3,(H,20,23).
What are the key properties of 2-(N-ethyl-4-fluoro-2-nitroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
2-(N-ethyl-4-fluoro-2-nitroanilino)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 349.34 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-fluoro-2-nitroanilino)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 9113030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).