(6S)-6-amino-N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C18H17F3N2O2 — CID 118694624

IUPAC(6S)-6-amino-N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESN[C@H]1CCc2cc(C(=O)Nc3cccc(OC(F)(F)F)c3)ccc2C1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)25-16-3-1-2-15(10-16)23-17(24)13-5-4-12-9-14(22)7-6-11(12)8-13/h1-5,8,10,14H,6-7,9,22H2,(H,23,24)/t14-/m0/s1
InChIKeyYCCHXWKBRXFQKX-AWEZNQCLSA-N
MW350.34 g/mol
LogP3.65
Rot. Bonds3

About (6S)-6-amino-N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

(6S)-6-amino-N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 118694624) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is (6S)-6-amino-N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name(6S)-6-amino-N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID118694624
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name(6S)-6-amino-N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESN[C@H]1CCc2cc(C(=O)Nc3cccc(OC(F)(F)F)c3)ccc2C1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)25-16-3-1-2-15(10-16)23-17(24)13-5-4-12-9-14(22)7-6-11(12)8-13/h1-5,8,10,14H,6-7,9,22H2,(H,23,24)/t14-/m0/s1
InChIKeyYCCHXWKBRXFQKX-AWEZNQCLSA-N
XLogP3.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-amino-N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of (6S)-6-amino-N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 118694624) is (6S)-6-amino-N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for (6S)-6-amino-N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for (6S)-6-amino-N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is N[C@H]1CCc2cc(C(=O)Nc3cccc(OC(F)(F)F)c3)ccc2C1.
What is the InChIKey of (6S)-6-amino-N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is YCCHXWKBRXFQKX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-18(20,21)25-16-3-1-2-15(10-16)23-17(24)13-5-4-12-9-14(22)7-6-11(12)8-13/h1-5,8,10,14H,6-7,9,22H2,(H,23,24)/t14-/m0/s1.
What are the key properties of (6S)-6-amino-N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
(6S)-6-amino-N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-amino-N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 118694624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).