N-benzyl-2,2,2-trifluoro-N-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]cyclopropyl]phenyl]acetamide

C26H22F6N2O — CID 118304147

IUPACN-benzyl-2,2,2-trifluoro-N-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]cyclopropyl]phenyl]acetamide
SMILESO=C(N(Cc1ccccc1)c1ccc(C2CC2NCc2ccc(C(F)(F)F)cc2)cc1)C(F)(F)F
InChIInChI=1S/C26H22F6N2O/c27-25(28,29)20-10-6-17(7-11-20)15-33-23-14-22(23)19-8-12-21(13-9-19)34(24(35)26(30,31)32)16-18-4-2-1-3-5-18/h1-13,22-23,33H,14-16H2
InChIKeyPZSOVMNHTPHQJO-UHFFFAOYSA-N
MW492.46 g/mol
LogP6.45
Rot. Bonds7

About N-benzyl-2,2,2-trifluoro-N-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]cyclopropyl]phenyl]acetamide

N-benzyl-2,2,2-trifluoro-N-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]cyclopropyl]phenyl]acetamide (PubChem CID 118304147) has the molecular formula C26H22F6N2O and a molecular weight of 492.46 g/mol. Its IUPAC name is N-benzyl-2,2,2-trifluoro-N-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]cyclopropyl]phenyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2,2,2-trifluoro-N-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]cyclopropyl]phenyl]acetamide
PubChem CID118304147
Molecular FormulaC26H22F6N2O
Molecular Weight492.46 g/mol
Exact Mass492.16
IUPAC NameN-benzyl-2,2,2-trifluoro-N-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]cyclopropyl]phenyl]acetamide
SMILESO=C(N(Cc1ccccc1)c1ccc(C2CC2NCc2ccc(C(F)(F)F)cc2)cc1)C(F)(F)F
InChIInChI=1S/C26H22F6N2O/c27-25(28,29)20-10-6-17(7-11-20)15-33-23-14-22(23)19-8-12-21(13-9-19)34(24(35)26(30,31)32)16-18-4-2-1-3-5-18/h1-13,22-23,33H,14-16H2
InChIKeyPZSOVMNHTPHQJO-UHFFFAOYSA-N
XLogP6.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.46
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2,2,2-trifluoro-N-[4-[2-[(4-methylphenyl)methylamino]cyclopropyl]phenyl]acetamide
CID 118304996
phenyl-[[4-(trifluoromethyl)phenyl]methyl]carbamic acid;2,2,2-trifluoroacetic acid
CID 158988561
N-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine
CID 90204582
trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 46869734
N-benzyl-4-[2-[(2-methylphenyl)methylamino]cyclopropyl]benzamide;2,2,2-trifluoroacetic acid
CID 118305002
trans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine
CID 46868842
N-[1-(benzylamino)-1-oxo-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexan-2-yl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 118411675
N-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide
CID 118304730
N-benzyl-4-[(1S,2R)-2-[(2-fluoro-5-methoxyphenyl)methylamino]cyclopropyl]benzamide;2,2,2-trifluoroacetic acid
CID 118304923
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 92859467
3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid
CID 103244651

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,2-trifluoro-N-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]cyclopropyl]phenyl]acetamide?
The IUPAC name of N-benzyl-2,2,2-trifluoro-N-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]cyclopropyl]phenyl]acetamide (CID 118304147) is N-benzyl-2,2,2-trifluoro-N-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]cyclopropyl]phenyl]acetamide.
What is the SMILES notation for N-benzyl-2,2,2-trifluoro-N-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]cyclopropyl]phenyl]acetamide?
The canonical SMILES for N-benzyl-2,2,2-trifluoro-N-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]cyclopropyl]phenyl]acetamide is O=C(N(Cc1ccccc1)c1ccc(C2CC2NCc2ccc(C(F)(F)F)cc2)cc1)C(F)(F)F.
What is the InChIKey of N-benzyl-2,2,2-trifluoro-N-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]cyclopropyl]phenyl]acetamide?
The InChIKey is PZSOVMNHTPHQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F6N2O/c27-25(28,29)20-10-6-17(7-11-20)15-33-23-14-22(23)19-8-12-21(13-9-19)34(24(35)26(30,31)32)16-18-4-2-1-3-5-18/h1-13,22-23,33H,14-16H2.
What are the key properties of N-benzyl-2,2,2-trifluoro-N-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]cyclopropyl]phenyl]acetamide?
N-benzyl-2,2,2-trifluoro-N-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]cyclopropyl]phenyl]acetamide has a molecular weight of 492.46 g/mol, XLogP of 6.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trifluoro-N-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]cyclopropyl]phenyl]acetamide is sourced from PubChem (CID 118304147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).