2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide

C14H10F3N3O3 — CID 9345460

IUPAC2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F3N3O3/c15-10-4-5-11(14(17)13(10)16)19-12(21)7-18-8-2-1-3-9(6-8)20(22)23/h1-6,18H,7H2,(H,19,21)
InChIKeyBUINDSISMSWGLD-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.06
Rot. Bonds5

About 2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide

2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 9345460) has the molecular formula C14H10F3N3O3 and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID9345460
Molecular FormulaC14H10F3N3O3
Molecular Weight325.25 g/mol
Exact Mass325.07
IUPAC Name2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F3N3O3/c15-10-4-5-11(14(17)13(10)16)19-12(21)7-18-8-2-1-3-9(6-8)20(22)23/h1-6,18H,7H2,(H,19,21)
InChIKeyBUINDSISMSWGLD-UHFFFAOYSA-N
XLogP3.06
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide
CID 9081448
N-(5-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide
CID 17419612
N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide
CID 8933282
N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide
CID 9081418
2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 109011156
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26217762
2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 51146120
3,5-dinitro-N-(2,3,4-trifluorophenyl)benzamide
CID 9095279
1-(3-nitroanilino)propan-2-one
CID 141021170
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 2567953
3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109034329
(E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 6289668

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide (CID 9345460) is 2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide is O=C(CNc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is BUINDSISMSWGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3/c15-10-4-5-11(14(17)13(10)16)19-12(21)7-18-8-2-1-3-9(6-8)20(22)23/h1-6,18H,7H2,(H,19,21).
What are the key properties of 2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide?
2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 325.25 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 9345460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).