7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide

C14H17F3N2O2 — CID 79230787

IUPAC7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCOc1ccc2c(c1)C(NCC(F)(F)F)(C(N)=O)CCC2
InChIInChI=1S/C14H17F3N2O2/c1-21-10-5-4-9-3-2-6-13(12(18)20,11(9)7-10)19-8-14(15,16)17/h4-5,7,19H,2-3,6,8H2,1H3,(H2,18,20)
InChIKeyKOYKBHORTJXJRT-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.86
Rot. Bonds4

About 7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide

7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide (PubChem CID 79230787) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide.

Molecular Properties

Compound Name7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide
PubChem CID79230787
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCOc1ccc2c(c1)C(NCC(F)(F)F)(C(N)=O)CCC2
InChIInChI=1S/C14H17F3N2O2/c1-21-10-5-4-9-3-2-6-13(12(18)20,11(9)7-10)19-8-14(15,16)17/h4-5,7,19H,2-3,6,8H2,1H3,(H2,18,20)
InChIKeyKOYKBHORTJXJRT-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide
CID 79374237
6-methoxy-1-(propylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 60796789
1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide
CID 54893156
1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79235885
methyl 7-methoxy-1-[2-(methylamino)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 70953559
1-ethyl-6-methoxy-2,3-dihydroindene-1-carboxamide
CID 176955312
methyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate
CID 54892661
2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 115510736
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 70241546
6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylic acid
CID 79374970

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide?
The IUPAC name of 7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide (CID 79230787) is 7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide.
What is the SMILES notation for 7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide?
The canonical SMILES for 7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide is COc1ccc2c(c1)C(NCC(F)(F)F)(C(N)=O)CCC2.
What is the InChIKey of 7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide?
The InChIKey is KOYKBHORTJXJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-21-10-5-4-9-3-2-6-13(12(18)20,11(9)7-10)19-8-14(15,16)17/h4-5,7,19H,2-3,6,8H2,1H3,(H2,18,20).
What are the key properties of 7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide?
7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide is sourced from PubChem (CID 79230787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).