N-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide

C15H12F3IN2O2 — CID 31774679

IUPACN-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
SMILESO=C(CNc1cccc(OC(F)(F)F)c1)Nc1ccccc1I
InChIInChI=1S/C15H12F3IN2O2/c16-15(17,18)23-11-5-3-4-10(8-11)20-9-14(22)21-13-7-2-1-6-12(13)19/h1-8,20H,9H2,(H,21,22)
InChIKeyPIMXZLGEUGGRPJ-UHFFFAOYSA-N
MW436.17 g/mol
LogP4.24
Rot. Bonds5

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

N-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide (PubChem CID 31774679) has the molecular formula C15H12F3IN2O2 and a molecular weight of 436.17 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
PubChem CID31774679
Molecular FormulaC15H12F3IN2O2
Molecular Weight436.17 g/mol
Exact Mass435.99
IUPAC NameN-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
SMILESO=C(CNc1cccc(OC(F)(F)F)c1)Nc1ccccc1I
InChIInChI=1S/C15H12F3IN2O2/c16-15(17,18)23-11-5-3-4-10(8-11)20-9-14(22)21-13-7-2-1-6-12(13)19/h1-8,20H,9H2,(H,21,22)
InChIKeyPIMXZLGEUGGRPJ-UHFFFAOYSA-N
XLogP4.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.17
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31773766
N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31773740
2-(3-fluoroanilino)-N-(2-iodophenyl)acetamide
CID 26506350
N-methyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586079
N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 55544484
N-ethyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586058
N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586045
N-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31775100
N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 61062823
N-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31774526
2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 78924197
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
The IUPAC name of N-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide (CID 31774679) is N-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide.
What is the SMILES notation for N-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
The canonical SMILES for N-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide is O=C(CNc1cccc(OC(F)(F)F)c1)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
The InChIKey is PIMXZLGEUGGRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3IN2O2/c16-15(17,18)23-11-5-3-4-10(8-11)20-9-14(22)21-13-7-2-1-6-12(13)19/h1-8,20H,9H2,(H,21,22).
What are the key properties of N-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
N-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide has a molecular weight of 436.17 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide is sourced from PubChem (CID 31774679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).