N-methyl-2-(4-methyl-2-nitroanilino)-N-(2,2,2-trifluoroethyl)acetamide

C12H14F3N3O3 — CID 133340888

IUPACN-methyl-2-(4-methyl-2-nitroanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(NCC(=O)N(C)CC(F)(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H14F3N3O3/c1-8-3-4-9(10(5-8)18(20)21)16-6-11(19)17(2)7-12(13,14)15/h3-5,16H,6-7H2,1-2H3
InChIKeyMLTYEPZDYHUJPK-UHFFFAOYSA-N
MW305.26 g/mol
LogP2.34
Rot. Bonds5

About N-methyl-2-(4-methyl-2-nitroanilino)-N-(2,2,2-trifluoroethyl)acetamide

N-methyl-2-(4-methyl-2-nitroanilino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 133340888) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-2-nitroanilino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-2-nitroanilino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID133340888
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC NameN-methyl-2-(4-methyl-2-nitroanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(NCC(=O)N(C)CC(F)(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H14F3N3O3/c1-8-3-4-9(10(5-8)18(20)21)16-6-11(19)17(2)7-12(13,14)15/h3-5,16H,6-7H2,1-2H3
InChIKeyMLTYEPZDYHUJPK-UHFFFAOYSA-N
XLogP2.34
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 52.34
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

N-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 133340342
2,2-dimethyl-3-(4-methyl-2-nitroanilino)propan-1-ol
CID 81411428
N-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide
CID 104925778
N-(2-bromoprop-2-enyl)-4-methyl-2-nitroaniline
CID 115671735
N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide
CID 133389417
1-(4-methyl-2-nitrophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 116657554
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-nitroanilino)acetamide
CID 119655425
2-(4-methyl-2-nitroanilino)ethanol
CID 158468910
N-ethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-nitroaniline
CID 62184191
N,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide
CID 115593557
ethyl 3-(4-methyl-2-nitroanilino)propanoate
CID 22405287
2-methyl-2-(4-methyl-2-nitroanilino)propane-1,3-diol
CID 113336507

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-2-nitroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-(4-methyl-2-nitroanilino)-N-(2,2,2-trifluoroethyl)acetamide (CID 133340888) is N-methyl-2-(4-methyl-2-nitroanilino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-methyl-2-nitroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-(4-methyl-2-nitroanilino)-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc(NCC(=O)N(C)CC(F)(F)F)c([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-2-(4-methyl-2-nitroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MLTYEPZDYHUJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-8-3-4-9(10(5-8)18(20)21)16-6-11(19)17(2)7-12(13,14)15/h3-5,16H,6-7H2,1-2H3.
What are the key properties of N-methyl-2-(4-methyl-2-nitroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-(4-methyl-2-nitroanilino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 305.26 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-2-nitroanilino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 133340888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).