N-(1,1-diphenylpent-3-en-2-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide

C27H23F6NO — CID 140983162

IUPACN-(1,1-diphenylpent-3-en-2-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
SMILESCC=CC(C(c1ccccc1)c1ccccc1)N(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C27H23F6NO/c1-3-10-23(24(18-11-6-4-7-12-18)19-13-8-5-9-14-19)34(2)25(35)20-15-21(26(28,29)30)17-22(16-20)27(31,32)33/h3-17,23-24H,1-2H3
InChIKeyIWXQYNHHHFBLAU-UHFFFAOYSA-N
MW491.48 g/mol
LogP7.57
Rot. Bonds6

About N-(1,1-diphenylpent-3-en-2-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide

N-(1,1-diphenylpent-3-en-2-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide (PubChem CID 140983162) has the molecular formula C27H23F6NO and a molecular weight of 491.48 g/mol. Its IUPAC name is N-(1,1-diphenylpent-3-en-2-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1,1-diphenylpent-3-en-2-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
PubChem CID140983162
Molecular FormulaC27H23F6NO
Molecular Weight491.48 g/mol
Exact Mass491.17
IUPAC NameN-(1,1-diphenylpent-3-en-2-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
SMILESCC=CC(C(c1ccccc1)c1ccccc1)N(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C27H23F6NO/c1-3-10-23(24(18-11-6-4-7-12-18)19-13-8-5-9-14-19)34(2)25(35)20-15-21(26(28,29)30)17-22(16-20)27(31,32)33/h3-17,23-24H,1-2H3
InChIKeyIWXQYNHHHFBLAU-UHFFFAOYSA-N
XLogP7.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.48
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[[3,5-bis(trifluoromethyl)benzoyl]-methylamino]-5,5-diphenylpentanoic acid
CID 21310523
N-methyl-N-(2-phenyl-2-trimethylsilyloxyethyl)-3,5-bis(trifluoromethyl)benzamide
CID 526019
[2-(dimethylamino)-2-oxo-1-phenylethyl] 3,5-bis(trifluoromethyl)benzoate
CID 55391917
[1-(N-methylanilino)-1-oxopropan-2-yl] 3,5-bis(trifluoromethyl)benzoate
CID 55314334
N-[5-(diethylamino)-1-(1H-indol-3-yl)-5-oxopent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 172828412
3,5-bis(trifluoromethyl)benzoic acid;ethane
CID 143967931
N-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54049845
N-tert-butyl-N-chloro-3,5-bis(trifluoromethyl)benzamide
CID 132849037
N-[1-(1H-indol-3-yl)-5-oxo-5-(2-phenylethylamino)pent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 142626894
1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol
CID 173058879
3-[3,5-bis(trifluoromethyl)phenyl]-3-phenylpropanoic acid
CID 132543215
1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one
CID 70513343

Frequently Asked Questions

What is the IUPAC name of N-(1,1-diphenylpent-3-en-2-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(1,1-diphenylpent-3-en-2-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide (CID 140983162) is N-(1,1-diphenylpent-3-en-2-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1,1-diphenylpent-3-en-2-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(1,1-diphenylpent-3-en-2-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide is CC=CC(C(c1ccccc1)c1ccccc1)N(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(1,1-diphenylpent-3-en-2-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is IWXQYNHHHFBLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F6NO/c1-3-10-23(24(18-11-6-4-7-12-18)19-13-8-5-9-14-19)34(2)25(35)20-15-21(26(28,29)30)17-22(16-20)27(31,32)33/h3-17,23-24H,1-2H3.
What are the key properties of N-(1,1-diphenylpent-3-en-2-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide?
N-(1,1-diphenylpent-3-en-2-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 491.48 g/mol, XLogP of 7.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-diphenylpent-3-en-2-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 140983162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).