N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(trifluoromethyl)benzamide

C25H22F3NO2 — CID 42627890

IUPACN-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H]1c2ccccc2CC[C@@H]1OCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H22F3NO2/c26-25(27,28)20-13-10-19(11-14-20)24(30)29-23-21-9-5-4-8-18(21)12-15-22(23)31-16-17-6-2-1-3-7-17/h1-11,13-14,22-23H,12,15-16H2,(H,29,30)/t22-,23+/m0/s1
InChIKeyCRKIWGFMTUUYBR-XZOQPEGZSA-N
MW425.45 g/mol
LogP5.71
Rot. Bonds5

About N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(trifluoromethyl)benzamide

N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(trifluoromethyl)benzamide (PubChem CID 42627890) has the molecular formula C25H22F3NO2 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(trifluoromethyl)benzamide
PubChem CID42627890
Molecular FormulaC25H22F3NO2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC NameN-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H]1c2ccccc2CC[C@@H]1OCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H22F3NO2/c26-25(27,28)20-13-10-19(11-14-20)24(30)29-23-21-9-5-4-8-18(21)12-15-22(23)31-16-17-6-2-1-3-7-17/h1-11,13-14,22-23H,12,15-16H2,(H,29,30)/t22-,23+/m0/s1
InChIKeyCRKIWGFMTUUYBR-XZOQPEGZSA-N
XLogP5.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.45
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42627884
3-phenyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42627885
2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42627892
2-methyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42627893
2-phenylmethoxy-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 42627886
2-phenylmethoxy-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 42627887
2-phenyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 42627899
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-fluorobenzamide
CID 2953253
1-(Dimethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl benzoate--hydrogen chloride (1/1)
CID 52587
N-[1-(4-isopropylphenyl)propyl]-4-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 4748624
2-(4-fluorophenyl)-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 42627877
2-(4-fluorophenyl)-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 42627878

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(trifluoromethyl)benzamide (CID 42627890) is N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(trifluoromethyl)benzamide is O=C(N[C@@H]1c2ccccc2CC[C@@H]1OCc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is CRKIWGFMTUUYBR-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H22F3NO2/c26-25(27,28)20-13-10-19(11-14-20)24(30)29-23-21-9-5-4-8-18(21)12-15-22(23)31-16-17-6-2-1-3-7-17/h1-11,13-14,22-23H,12,15-16H2,(H,29,30)/t22-,23+/m0/s1.
What are the key properties of N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(trifluoromethyl)benzamide?
N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 425.45 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 42627890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).