N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]formamide

C20H14F3NO2 — CID 168654060

IUPACN-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H14F3NO2/c21-20(22,23)16-8-11-19(18(12-16)24-13-25)26-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-13H,(H,24,25)
InChIKeyZDWUOHZSNZSQRQ-UHFFFAOYSA-N
MW357.33 g/mol
LogP5.73
Rot. Bonds5

About N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]formamide

N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]formamide (PubChem CID 168654060) has the molecular formula C20H14F3NO2 and a molecular weight of 357.33 g/mol. Its IUPAC name is N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]formamide
PubChem CID168654060
Molecular FormulaC20H14F3NO2
Molecular Weight357.33 g/mol
Exact Mass357.10
IUPAC NameN-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H14F3NO2/c21-20(22,23)16-8-11-19(18(12-16)24-13-25)26-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-13H,(H,24,25)
InChIKeyZDWUOHZSNZSQRQ-UHFFFAOYSA-N
XLogP5.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.33
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169370979
N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 16761301
N-(5-methyl-2-phenoxyphenyl)formamide
CID 2336214
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline
CID 168583771
2-azido-1-(4-phenylphenoxy)-4-(trifluoromethyl)benzene
CID 169325187
N-[2-(4-fluorophenoxy)phenyl]formamide
CID 86192955
2-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]furan
CID 168525850
N-[2-fluoro-5-(trifluoromethyl)phenyl]formamide
CID 64992789
2-[[2-phenoxy-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169340503
N-[2-phosphanyl-5-(trifluoromethyl)phenyl]formamide
CID 143608068
1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 91805474
4-methyl-N-[2-naphthalen-2-yloxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169373057

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]formamide (CID 168654060) is N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]formamide is O=CNc1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]formamide?
The InChIKey is ZDWUOHZSNZSQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO2/c21-20(22,23)16-8-11-19(18(12-16)24-13-25)26-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-13H,(H,24,25).
What are the key properties of N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]formamide?
N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]formamide has a molecular weight of 357.33 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 168654060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).