2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide

C17H17F2N3O3 — CID 55868218

IUPAC2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2N3O3/c1-3-21(12-5-6-13(18)14(19)9-12)10-17(23)20-15-7-4-11(2)8-16(15)22(24)25/h4-9H,3,10H2,1-2H3,(H,20,23)
InChIKeyGBESPZRWZCYVBT-UHFFFAOYSA-N
MW349.34 g/mol
LogP3.65
Rot. Bonds6

About 2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide

2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide (PubChem CID 55868218) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is 2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide
PubChem CID55868218
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2N3O3/c1-3-21(12-5-6-13(18)14(19)9-12)10-17(23)20-15-7-4-11(2)8-16(15)22(24)25/h4-9H,3,10H2,1-2H3,(H,20,23)
InChIKeyGBESPZRWZCYVBT-UHFFFAOYSA-N
XLogP3.65
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.65
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-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210
2-[methyl(naphthalen-2-yl)amino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 31479768
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 46444137
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 16959753
7-amino-N-(4-methyl-2-nitrophenyl)heptanamide
CID 43708379
2-(2-aminoethylsulfanyl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 84551895
N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide
CID 112604437
[2-(4-methyl-2-nitroanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 3985063
2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 8538741
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 16962761

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide (CID 55868218) is 2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide is CCN(CC(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccc(F)c(F)c1.
What is the InChIKey of 2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide?
The InChIKey is GBESPZRWZCYVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-3-21(12-5-6-13(18)14(19)9-12)10-17(23)20-15-7-4-11(2)8-16(15)22(24)25/h4-9H,3,10H2,1-2H3,(H,20,23).
What are the key properties of 2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide?
2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide has a molecular weight of 349.34 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 55868218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).