N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide

C15H8F6INO — CID 94844570

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(I)cc1
InChIInChI=1S/C15H8F6INO/c16-14(17,18)9-5-10(15(19,20)21)7-12(6-9)23-13(24)8-1-3-11(22)4-2-8/h1-7H,(H,23,24)
InChIKeyDJLWGSIDJDINHF-UHFFFAOYSA-N
MW459.13 g/mol
LogP5.58
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide

N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide (PubChem CID 94844570) has the molecular formula C15H8F6INO and a molecular weight of 459.13 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide
PubChem CID94844570
Molecular FormulaC15H8F6INO
Molecular Weight459.13 g/mol
Exact Mass458.96
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(I)cc1
InChIInChI=1S/C15H8F6INO/c16-14(17,18)9-5-10(15(19,20)21)7-12(6-9)23-13(24)8-1-3-11(22)4-2-8/h1-7H,(H,23,24)
InChIKeyDJLWGSIDJDINHF-UHFFFAOYSA-N
XLogP5.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.13
LogP ≤ 55.58
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-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide
CID 29204823
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 59263648
N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide
CID 107036187
N-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 18876232
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 1221652
N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide
CID 25222880
N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide
CID 65490452
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 45428652
N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 1013270
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 4810797

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide (CID 94844570) is N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(I)cc1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide?
The InChIKey is DJLWGSIDJDINHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6INO/c16-14(17,18)9-5-10(15(19,20)21)7-12(6-9)23-13(24)8-1-3-11(22)4-2-8/h1-7H,(H,23,24).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide has a molecular weight of 459.13 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide is sourced from PubChem (CID 94844570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).