2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide

C17H12F6N2O2 — CID 3688505

IUPAC2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)C(F)(F)F)cc2)cc1)C(F)(F)F
InChIInChI=1S/C17H12F6N2O2/c18-16(19,20)14(26)24-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)25-15(27)17(21,22)23/h1-8H,9H2,(H,24,26)(H,25,27)
InChIKeyRMFGHBKIYTYGHG-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.28
Rot. Bonds4

About 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide

2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide (PubChem CID 3688505) has the molecular formula C17H12F6N2O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
PubChem CID3688505
Molecular FormulaC17H12F6N2O2
Molecular Weight390.28 g/mol
Exact Mass390.08
IUPAC Name2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)C(F)(F)F)cc2)cc1)C(F)(F)F
InChIInChI=1S/C17H12F6N2O2/c18-16(19,20)14(26)24-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)25-15(27)17(21,22)23/h1-8H,9H2,(H,24,26)(H,25,27)
InChIKeyRMFGHBKIYTYGHG-UHFFFAOYSA-N
XLogP4.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 117275285
[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
CID 18543052
9-chloro-N-[4-[[4-[(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)amino]phenyl]methyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 4104811
2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 15498276
4-[(2,2,2-trifluoroacetyl)amino]phenolate
CID 171407160
2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108933950
3-(4-fluorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 110622806
N-[4-(2-bromobutyl)phenyl]-2,2,2-trifluoroacetamide
CID 82259344
2,2,2-trifluoro-N-[4-(piperidin-4-ylmethyl)phenyl]acetamide;2,2,2-trifluoro-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 90012791
N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 130770723
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide (CID 3688505) is 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide is O=C(Nc1ccc(Cc2ccc(NC(=O)C(F)(F)F)cc2)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide?
The InChIKey is RMFGHBKIYTYGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N2O2/c18-16(19,20)14(26)24-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)25-15(27)17(21,22)23/h1-8H,9H2,(H,24,26)(H,25,27).
What are the key properties of 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide has a molecular weight of 390.28 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide is sourced from PubChem (CID 3688505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).