N-[(2R)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

C22H20F3NO3 — CID 155214148

IUPACN-[(2R)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESCOC[C@@H](C)NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C22H20F3NO3/c1-14(13-28-2)26-21(27)16-6-11-19-15(12-16)4-3-5-20(19)29-18-9-7-17(8-10-18)22(23,24)25/h3-12,14H,13H2,1-2H3,(H,26,27)/t14-/m1/s1
InChIKeyZCZVRODUSCMEKA-CQSZACIVSA-N
MW403.40 g/mol
LogP5.42
Rot. Bonds6

About N-[(2R)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

N-[(2R)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 155214148) has the molecular formula C22H20F3NO3 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID155214148
Molecular FormulaC22H20F3NO3
Molecular Weight403.40 g/mol
Exact Mass403.14
IUPAC NameN-[(2R)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESCOC[C@@H](C)NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C22H20F3NO3/c1-14(13-28-2)26-21(27)16-6-11-19-15(12-16)4-3-5-20(19)29-18-9-7-17(8-10-18)22(23,24)25/h3-12,14H,13H2,1-2H3,(H,26,27)/t14-/m1/s1
InChIKeyZCZVRODUSCMEKA-CQSZACIVSA-N
XLogP5.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.40
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 155214148) is N-[(2R)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is COC[C@@H](C)NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is ZCZVRODUSCMEKA-CQSZACIVSA-N. The full InChI is InChI=1S/C22H20F3NO3/c1-14(13-28-2)26-21(27)16-6-11-19-15(12-16)4-3-5-20(19)29-18-9-7-17(8-10-18)22(23,24)25/h3-12,14H,13H2,1-2H3,(H,26,27)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-[(2R)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 155214148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).