N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide

C16H14F3N3O4 — CID 55544484

IUPACN-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
SMILESCc1c(NC(=O)CNc2cccc(OC(F)(F)F)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H14F3N3O4/c1-10-13(6-3-7-14(10)22(24)25)21-15(23)9-20-11-4-2-5-12(8-11)26-16(17,18)19/h2-8,20H,9H2,1H3,(H,21,23)
InChIKeyOWXFCTSBXDTSDR-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.85
Rot. Bonds6

About N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide

N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide (PubChem CID 55544484) has the molecular formula C16H14F3N3O4 and a molecular weight of 369.30 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
PubChem CID55544484
Molecular FormulaC16H14F3N3O4
Molecular Weight369.30 g/mol
Exact Mass369.09
IUPAC NameN-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
SMILESCc1c(NC(=O)CNc2cccc(OC(F)(F)F)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H14F3N3O4/c1-10-13(6-3-7-14(10)22(24)25)21-15(23)9-20-11-4-2-5-12(8-11)26-16(17,18)19/h2-8,20H,9H2,1H3,(H,21,23)
InChIKeyOWXFCTSBXDTSDR-UHFFFAOYSA-N
XLogP3.85
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31773740
N-(2-methylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31773766
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
N-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31774679
2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 51178521
N-methyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586079
N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9393928
N-ethyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586058
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586045
N-[4-(difluoromethoxy)phenyl]-2-(2-methyl-3-nitroanilino)acetamide
CID 9102534
2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26416516

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide (CID 55544484) is N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide is Cc1c(NC(=O)CNc2cccc(OC(F)(F)F)c2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
The InChIKey is OWXFCTSBXDTSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O4/c1-10-13(6-3-7-14(10)22(24)25)21-15(23)9-20-11-4-2-5-12(8-11)26-16(17,18)19/h2-8,20H,9H2,1H3,(H,21,23).
What are the key properties of N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide has a molecular weight of 369.30 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide is sourced from PubChem (CID 55544484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).