N-(3-chloro-2-fluoro-6-iodophenyl)-4-(trifluoromethyl)benzamide

C14H7ClF4INO — CID 129201826

IUPACN-(3-chloro-2-fluoro-6-iodophenyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1c(I)ccc(Cl)c1F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H7ClF4INO/c15-9-5-6-10(20)12(11(9)16)21-13(22)7-1-3-8(4-2-7)14(17,18)19/h1-6H,(H,21,22)
InChIKeyRAEHKPAURYYAFJ-UHFFFAOYSA-N
MW443.57 g/mol
LogP5.35
Rot. Bonds2

About N-(3-chloro-2-fluoro-6-iodophenyl)-4-(trifluoromethyl)benzamide

N-(3-chloro-2-fluoro-6-iodophenyl)-4-(trifluoromethyl)benzamide (PubChem CID 129201826) has the molecular formula C14H7ClF4INO and a molecular weight of 443.57 g/mol. Its IUPAC name is N-(3-chloro-2-fluoro-6-iodophenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluoro-6-iodophenyl)-4-(trifluoromethyl)benzamide
PubChem CID129201826
Molecular FormulaC14H7ClF4INO
Molecular Weight443.57 g/mol
Exact Mass442.92
IUPAC NameN-(3-chloro-2-fluoro-6-iodophenyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1c(I)ccc(Cl)c1F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H7ClF4INO/c15-9-5-6-10(20)12(11(9)16)21-13(22)7-1-3-8(4-2-7)14(17,18)19/h1-6H,(H,21,22)
InChIKeyRAEHKPAURYYAFJ-UHFFFAOYSA-N
XLogP5.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.57
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide
CID 7920564
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 60712444
N-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide
CID 64793492
N-(2-ethyl-5-iodo-1,3-benzoxazol-4-yl)-4-(trifluoromethyl)benzamide
CID 129201787
4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
CID 86708437
2-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
CID 150007971
3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 147118620
2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
CID 35932014
N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide
CID 108933525
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 78909417

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluoro-6-iodophenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-chloro-2-fluoro-6-iodophenyl)-4-(trifluoromethyl)benzamide (CID 129201826) is N-(3-chloro-2-fluoro-6-iodophenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-chloro-2-fluoro-6-iodophenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-chloro-2-fluoro-6-iodophenyl)-4-(trifluoromethyl)benzamide is O=C(Nc1c(I)ccc(Cl)c1F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-chloro-2-fluoro-6-iodophenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is RAEHKPAURYYAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF4INO/c15-9-5-6-10(20)12(11(9)16)21-13(22)7-1-3-8(4-2-7)14(17,18)19/h1-6H,(H,21,22).
What are the key properties of N-(3-chloro-2-fluoro-6-iodophenyl)-4-(trifluoromethyl)benzamide?
N-(3-chloro-2-fluoro-6-iodophenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 443.57 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluoro-6-iodophenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 129201826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).