N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide

C14H8ClF3INO — CID 2296321

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(I)c1
InChIInChI=1S/C14H8ClF3INO/c15-9-4-5-12(11(7-9)14(16,17)18)20-13(21)8-2-1-3-10(19)6-8/h1-7H,(H,20,21)
InChIKeyAUUXCEGINDSQIE-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.22
Rot. Bonds2

About N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide (PubChem CID 2296321) has the molecular formula C14H8ClF3INO and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide
PubChem CID2296321
Molecular FormulaC14H8ClF3INO
Molecular Weight425.58 g/mol
Exact Mass424.93
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(I)c1
InChIInChI=1S/C14H8ClF3INO/c15-9-4-5-12(11(7-9)14(16,17)18)20-13(21)8-2-1-3-10(19)6-8/h1-7H,(H,20,21)
InChIKeyAUUXCEGINDSQIE-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
N-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 121454119
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 109055915
1-N-butyl-3-N-[4-chloro-2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109051222
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
N-(2-bromo-5-chlorophenyl)-3-iodobenzamide
CID 81270343
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide
CID 55430490
2,3-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 2296110
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide
CID 113001009
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2-ethylanilino)methyl]benzamide
CID 84554495

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide (CID 2296321) is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(I)c1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide?
The InChIKey is AUUXCEGINDSQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3INO/c15-9-4-5-12(11(7-9)14(16,17)18)20-13(21)8-2-1-3-10(19)6-8/h1-7H,(H,20,21).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide has a molecular weight of 425.58 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide is sourced from PubChem (CID 2296321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).