N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide

C21H19F3N2O3 — CID 155713246

IUPACN-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide
SMILESCCNC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.NC=O
InChIInChI=1S/C20H16F3NO2.CH3NO/c1-2-24-19(25)14-6-11-17-13(12-14)4-3-5-18(17)26-16-9-7-15(8-10-16)20(21,22)23;2-1-3/h3-12H,2H2,1H3,(H,24,25);1H,(H2,2,3)
InChIKeyMIONZVBBBLHAFJ-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.50
Rot. Bonds4

About N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide

N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide (PubChem CID 155713246) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide.

Molecular Properties

Compound NameN-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide
PubChem CID155713246
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC NameN-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide
SMILESCCNC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.NC=O
InChIInChI=1S/C20H16F3NO2.CH3NO/c1-2-24-19(25)14-6-11-17-13(12-14)4-3-5-18(17)26-16-9-7-15(8-10-16)20(21,22)23;2-1-3/h3-12H,2H2,1H3,(H,24,25);1H,(H2,2,3)
InChIKeyMIONZVBBBLHAFJ-UHFFFAOYSA-N
XLogP4.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propane;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 163266760
N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214031
N-(4-aminobutan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214020
N-[[3-[2-(nonylamino)-2-oxoethyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 177202072
N-[(2R,3S)-4-amino-3-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155223368
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 176698652
N-[(2S)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214013
(4S)-6-(ethylamino)-4-methyl-1-[5-[4-(trifluoromethyl)phenoxy]naphthalen-2-yl]hexan-1-one
CID 177062751
N-[2-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155254814
N-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214156
N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213896
N-[(3Z)-4-chloro-3-ethenylhexa-3,5-dien-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155713238

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide?
The IUPAC name of N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide (CID 155713246) is N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide.
What is the SMILES notation for N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide?
The canonical SMILES for N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide is CCNC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.NC=O.
What is the InChIKey of N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide?
The InChIKey is MIONZVBBBLHAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO2.CH3NO/c1-2-24-19(25)14-6-11-17-13(12-14)4-3-5-18(17)26-16-9-7-15(8-10-16)20(21,22)23;2-1-3/h3-12H,2H2,1H3,(H,24,25);1H,(H2,2,3).
What are the key properties of N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide?
N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide has a molecular weight of 404.39 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide is sourced from PubChem (CID 155713246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).