N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluoro-5-iodobenzamide

C21H11F7INO2 — CID 155566462

IUPACN-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluoro-5-iodobenzamide
SMILESO=C(Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1cc(I)ccc1F
InChIInChI=1S/C21H11F7INO2/c22-18-6-1-13(29)10-17(18)19(31)30-14-2-4-15(5-3-14)32-16-8-11(20(23,24)25)7-12(9-16)21(26,27)28/h1-10H,(H,30,31)
InChIKeyLTTMVQYJHPQMRY-UHFFFAOYSA-N
MW569.21 g/mol
LogP7.51
Rot. Bonds4

About N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluoro-5-iodobenzamide

N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluoro-5-iodobenzamide (PubChem CID 155566462) has the molecular formula C21H11F7INO2 and a molecular weight of 569.21 g/mol. Its IUPAC name is N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluoro-5-iodobenzamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluoro-5-iodobenzamide
PubChem CID155566462
Molecular FormulaC21H11F7INO2
Molecular Weight569.21 g/mol
Exact Mass568.97
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluoro-5-iodobenzamide
SMILESO=C(Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1cc(I)ccc1F
InChIInChI=1S/C21H11F7INO2/c22-18-6-1-13(29)10-17(18)19(31)30-14-2-4-15(5-3-14)32-16-8-11(20(23,24)25)7-12(9-16)21(26,27)28/h1-10H,(H,30,31)
InChIKeyLTTMVQYJHPQMRY-UHFFFAOYSA-N
XLogP7.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.21
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-dichloro-2-hydroxybenzamide
CID 142662859
2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide
CID 53329942
2-fluoro-N-[2-fluoro-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-5-(trifluoromethyl)benzamide
CID 121264642
2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 170761389
N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide
CID 94844570
N-(4-fluorophenyl)-2,5-diiodobenzamide
CID 46495854
2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide
CID 43377569
5-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 47051311
5-chloro-2-hydroxy-N-[3-naphthalen-2-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 69017984
2-fluoro-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 759350
N-[4-(difluoromethoxy)phenyl]-2-hydroxy-5-iodobenzamide
CID 34273440
4-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzoyl]amino]benzoic acid
CID 138748534

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluoro-5-iodobenzamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluoro-5-iodobenzamide (CID 155566462) is N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluoro-5-iodobenzamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluoro-5-iodobenzamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluoro-5-iodobenzamide is O=C(Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1cc(I)ccc1F.
What is the InChIKey of N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluoro-5-iodobenzamide?
The InChIKey is LTTMVQYJHPQMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F7INO2/c22-18-6-1-13(29)10-17(18)19(31)30-14-2-4-15(5-3-14)32-16-8-11(20(23,24)25)7-12(9-16)21(26,27)28/h1-10H,(H,30,31).
What are the key properties of N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluoro-5-iodobenzamide?
N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluoro-5-iodobenzamide has a molecular weight of 569.21 g/mol, XLogP of 7.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluoro-5-iodobenzamide is sourced from PubChem (CID 155566462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).