N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide

C16H11F6NO2 — CID 134010341

IUPACN-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F6NO2/c17-15(18,19)9-25-11-7-5-10(6-8-11)23-14(24)12-3-1-2-4-13(12)16(20,21)22/h1-8H,9H2,(H,23,24)
InChIKeyBKVHPKXHXJVQNV-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.90
Rot. Bonds4

About N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide

N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 134010341) has the molecular formula C16H11F6NO2 and a molecular weight of 363.26 g/mol. Its IUPAC name is N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide
PubChem CID134010341
Molecular FormulaC16H11F6NO2
Molecular Weight363.26 g/mol
Exact Mass363.07
IUPAC NameN-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F6NO2/c17-15(18,19)9-25-11-7-5-10(6-8-11)23-14(24)12-3-1-2-4-13(12)16(20,21)22/h1-8H,9H2,(H,23,24)
InChIKeyBKVHPKXHXJVQNV-UHFFFAOYSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide
CID 46530485
2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474623
2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 18208238
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 17469397
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 46421851
N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30886976
N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
CID 46421870
N-[4-(diethylcarbamoyl)phenyl]-2-(trifluoromethyl)benzamide
CID 4785724
3-chloro-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 134010363
4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010354

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide (CID 134010341) is N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide is O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is BKVHPKXHXJVQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6NO2/c17-15(18,19)9-25-11-7-5-10(6-8-11)23-14(24)12-3-1-2-4-13(12)16(20,21)22/h1-8H,9H2,(H,23,24).
What are the key properties of N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide?
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 363.26 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 134010341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).