N-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C17H13F6NO — CID 87497566

IUPACN-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(c1ccccc1)N(CCc1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C17H13F6NO/c18-16(19,20)14-8-6-12(7-9-14)10-11-24(17(21,22)23)15(25)13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyMNIQPRRXISXOMS-UHFFFAOYSA-N
MW361.29 g/mol
LogP4.91
Rot. Bonds4

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

N-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 87497566) has the molecular formula C17H13F6NO and a molecular weight of 361.29 g/mol. Its IUPAC name is N-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID87497566
Molecular FormulaC17H13F6NO
Molecular Weight361.29 g/mol
Exact Mass361.09
IUPAC NameN-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(c1ccccc1)N(CCc1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C17H13F6NO/c18-16(19,20)14-8-6-12(7-9-14)10-11-24(17(21,22)23)15(25)13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyMNIQPRRXISXOMS-UHFFFAOYSA-N
XLogP4.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 154260012
4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151091518
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide
CID 42698365
N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698347
CID 161391832
CID 161391832
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 110287984
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 62115398
N-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698385
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 104845048

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of N-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 87497566) is N-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for N-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for N-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is O=C(c1ccccc1)N(CCc1ccc(C(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of N-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is MNIQPRRXISXOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6NO/c18-16(19,20)14-8-6-12(7-9-14)10-11-24(17(21,22)23)15(25)13-4-2-1-3-5-13/h1-9H,10-11H2.
What are the key properties of N-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
N-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 361.29 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 87497566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).