N-(4-iodophenyl)-4-(trifluoromethyl)benzamide

C14H9F3INO — CID 1019468

IUPACN-(4-iodophenyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(I)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H9F3INO/c15-14(16,17)10-3-1-9(2-4-10)13(20)19-12-7-5-11(18)6-8-12/h1-8H,(H,19,20)
InChIKeyVTVLWVLMDYRPGZ-UHFFFAOYSA-N
MW391.13 g/mol
LogP4.56
Rot. Bonds2

About N-(4-iodophenyl)-4-(trifluoromethyl)benzamide

N-(4-iodophenyl)-4-(trifluoromethyl)benzamide (PubChem CID 1019468) has the molecular formula C14H9F3INO and a molecular weight of 391.13 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-(trifluoromethyl)benzamide
PubChem CID1019468
Molecular FormulaC14H9F3INO
Molecular Weight391.13 g/mol
Exact Mass390.97
IUPAC NameN-(4-iodophenyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(I)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H9F3INO/c15-14(16,17)10-3-1-9(2-4-10)13(20)19-12-7-5-11(18)6-8-12/h1-8H,(H,19,20)
InChIKeyVTVLWVLMDYRPGZ-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.13
LogP ≤ 54.56
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

Benodanil
CID 27195
Benzanilide
CID 7168
N-(2-aminophenyl)benzamide
CID 759408
4'-Methylbenzanilide
CID 68497
Acetanilide, 3'-acetyl-2,2,2-trifluoro-
CID 673706
2-Amino-N-phenylbenzamide
CID 78142
3-Aminobenzanilide
CID 84347
N-(4-Acetylphenyl)-2,2,2-trifluoroacetamide
CID 32487
2-Toluanilide
CID 23466
2'-Methylbenzanilide
CID 71100
3-Oxo-3-phenylpropionanilide
CID 70398
4,4'-Diaminobenzanilide
CID 69917

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-iodophenyl)-4-(trifluoromethyl)benzamide (CID 1019468) is N-(4-iodophenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-iodophenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-iodophenyl)-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(I)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-iodophenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is VTVLWVLMDYRPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3INO/c15-14(16,17)10-3-1-9(2-4-10)13(20)19-12-7-5-11(18)6-8-12/h1-8H,(H,19,20).
What are the key properties of N-(4-iodophenyl)-4-(trifluoromethyl)benzamide?
N-(4-iodophenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 391.13 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 1019468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).