6-amino-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C19H19F3N2O — CID 118694685

IUPAC6-amino-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESNC1CCc2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)ccc2C1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)16-6-1-12(2-7-16)11-24-18(25)15-4-3-14-10-17(23)8-5-13(14)9-15/h1-4,6-7,9,17H,5,8,10-11,23H2,(H,24,25)
InChIKeyHJIPFFUXKDUSCI-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.45
Rot. Bonds3

About 6-amino-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

6-amino-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 118694685) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 6-amino-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID118694685
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name6-amino-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESNC1CCc2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)ccc2C1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)16-6-1-12(2-7-16)11-24-18(25)15-4-3-14-10-17(23)8-5-13(14)9-15/h1-4,6-7,9,17H,5,8,10-11,23H2,(H,24,25)
InChIKeyHJIPFFUXKDUSCI-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
N-(2-Oxo-2-((1,2,3,4-tetrahydronaphthalen-1-yl)amino)ethyl)-[1,1'-biphenyl]-4-carboxamide
CID 46673962
4'-((1R)-1-amino-2-(2,5-difluorophenyl)ethyl)biphenyl-3-carboxamide
CID 24832041
N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
CID 24856363
N-benzhydrylbenzamide
CID 219160
N-(1-benzylpiperidin-4-yl)naphthalene-2-carboxamide
CID 16725912
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 35295787
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-2-carboxamide
CID 35296170
3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide
CID 9928326
(S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11220185
(R)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11323940
Substituted Benzamide Derivative, 2
CID 44236114

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 6-amino-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 118694685) is 6-amino-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 6-amino-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 6-amino-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is NC1CCc2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)ccc2C1.
What is the InChIKey of 6-amino-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is HJIPFFUXKDUSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c20-19(21,22)16-6-1-12(2-7-16)11-24-18(25)15-4-3-14-10-17(23)8-5-13(14)9-15/h1-4,6-7,9,17H,5,8,10-11,23H2,(H,24,25).
What are the key properties of 6-amino-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
6-amino-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 118694685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).