N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide

C18H16F3NO — CID 97455780

IUPACN-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cccc2c1CCCC2
InChIInChI=1S/C18H16F3NO/c19-18(20,21)15-10-3-4-11-16(15)22-17(23)14-9-5-7-12-6-1-2-8-13(12)14/h3-5,7,9-11H,1-2,6,8H2,(H,22,23)
InChIKeyYGXBXODZGHUKHN-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.84
Rot. Bonds2

About N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide

N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide (PubChem CID 97455780) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
PubChem CID97455780
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cccc2c1CCCC2
InChIInChI=1S/C18H16F3NO/c19-18(20,21)15-10-3-4-11-16(15)22-17(23)14-9-5-7-12-6-1-2-8-13(12)14/h3-5,7,9-11H,1-2,6,8H2,(H,22,23)
InChIKeyYGXBXODZGHUKHN-UHFFFAOYSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 97455792
N-(2-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 98001091
N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 1278699
2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 103857081
N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 162647842
N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110423268
methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 108785392
3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 82782191
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409
N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 97455745
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
2-ethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 16545688

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide (CID 97455780) is N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cccc2c1CCCC2.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The InChIKey is YGXBXODZGHUKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO/c19-18(20,21)15-10-3-4-11-16(15)22-17(23)14-9-5-7-12-6-1-2-8-13(12)14/h3-5,7,9-11H,1-2,6,8H2,(H,22,23).
What are the key properties of N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 97455780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).