3-[benzyl(1-naphthalen-1-ylethyl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one

C29H26F3NO — CID 71134261

IUPAC3-[benzyl(1-naphthalen-1-ylethyl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(c1cccc2ccccc12)N(CCC(=O)c1cccc(C(F)(F)F)c1)Cc1ccccc1
InChIInChI=1S/C29H26F3NO/c1-21(26-16-8-12-23-11-5-6-15-27(23)26)33(20-22-9-3-2-4-10-22)18-17-28(34)24-13-7-14-25(19-24)29(30,31)32/h2-16,19,21H,17-18,20H2,1H3
InChIKeyWWSUKIRCFAWJOJ-UHFFFAOYSA-N
MW461.53 g/mol
LogP7.69
Rot. Bonds8

About 3-[benzyl(1-naphthalen-1-ylethyl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one

3-[benzyl(1-naphthalen-1-ylethyl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 71134261) has the molecular formula C29H26F3NO and a molecular weight of 461.53 g/mol. Its IUPAC name is 3-[benzyl(1-naphthalen-1-ylethyl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-[benzyl(1-naphthalen-1-ylethyl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one
PubChem CID71134261
Molecular FormulaC29H26F3NO
Molecular Weight461.53 g/mol
Exact Mass461.20
IUPAC Name3-[benzyl(1-naphthalen-1-ylethyl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(c1cccc2ccccc12)N(CCC(=O)c1cccc(C(F)(F)F)c1)Cc1ccccc1
InChIInChI=1S/C29H26F3NO/c1-21(26-16-8-12-23-11-5-6-15-27(23)26)33(20-22-9-3-2-4-10-22)18-17-28(34)24-13-7-14-25(19-24)29(30,31)32/h2-16,19,21H,17-18,20H2,1H3
InChIKeyWWSUKIRCFAWJOJ-UHFFFAOYSA-N
XLogP7.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 11000484
N-[(1R)-1-naphthalen-1-ylethyl]-N-oxido-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 46234196
N-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine
CID 174834815
1-(4-ethylphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 22947144
2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 24854936
2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid
CID 118026822
2-methylhexane;1-[3-(trifluoromethyl)phenyl]butan-1-one
CID 142809248
N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide
CID 17397571
N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698347
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725694
2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 60798946
tert-butyl N-[3-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-N-(1-naphthalen-1-ylethyl)carbamate
CID 123543585

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(1-naphthalen-1-ylethyl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 3-[benzyl(1-naphthalen-1-ylethyl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one (CID 71134261) is 3-[benzyl(1-naphthalen-1-ylethyl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-[benzyl(1-naphthalen-1-ylethyl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 3-[benzyl(1-naphthalen-1-ylethyl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one is CC(c1cccc2ccccc12)N(CCC(=O)c1cccc(C(F)(F)F)c1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(1-naphthalen-1-ylethyl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is WWSUKIRCFAWJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3NO/c1-21(26-16-8-12-23-11-5-6-15-27(23)26)33(20-22-9-3-2-4-10-22)18-17-28(34)24-13-7-14-25(19-24)29(30,31)32/h2-16,19,21H,17-18,20H2,1H3.
What are the key properties of 3-[benzyl(1-naphthalen-1-ylethyl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one?
3-[benzyl(1-naphthalen-1-ylethyl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 461.53 g/mol, XLogP of 7.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(1-naphthalen-1-ylethyl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 71134261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).