2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide

C22H19F3INO — CID 24854936

IUPAC2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](NC(=O)C(I)Cc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C22H19F3INO/c1-14(18-11-5-8-16-7-2-3-10-19(16)18)27-21(28)20(26)13-15-6-4-9-17(12-15)22(23,24)25/h2-12,14,20H,13H2,1H3,(H,27,28)/t14-,20?/m1/s1
InChIKeyBFZDQLVSDOLGBW-QMRFKDRMSA-N
MW497.30 g/mol
LogP6.08
Rot. Bonds5

About 2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide

2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 24854936) has the molecular formula C22H19F3INO and a molecular weight of 497.30 g/mol. Its IUPAC name is 2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID24854936
Molecular FormulaC22H19F3INO
Molecular Weight497.30 g/mol
Exact Mass497.05
IUPAC Name2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](NC(=O)C(I)Cc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C22H19F3INO/c1-14(18-11-5-8-16-7-2-3-10-19(16)18)27-21(28)20(26)13-15-6-4-9-17(12-15)22(23,24)25/h2-12,14,20H,13H2,1H3,(H,27,28)/t14-,20?/m1/s1
InChIKeyBFZDQLVSDOLGBW-QMRFKDRMSA-N
XLogP6.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.30
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
1-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 63084701
2-isoquinolin-5-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 22032670
2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide
CID 43346795
N-[(1R)-1-naphthalen-2-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8025350
(2S)-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
CID 70500671
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine
CID 70834368
2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide
CID 14511505

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide (CID 24854936) is 2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide is C[C@@H](NC(=O)C(I)Cc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.
What is the InChIKey of 2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is BFZDQLVSDOLGBW-QMRFKDRMSA-N. The full InChI is InChI=1S/C22H19F3INO/c1-14(18-11-5-8-16-7-2-3-10-19(16)18)27-21(28)20(26)13-15-6-4-9-17(12-15)22(23,24)25/h2-12,14,20H,13H2,1H3,(H,27,28)/t14-,20?/m1/s1.
What are the key properties of 2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 497.30 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 24854936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).