2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide

C20H22F2N2O2 — CID 120668049

IUPAC2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NC2CCCc3cc(OC(F)F)ccc32)cc1
InChIInChI=1S/C20H22F2N2O2/c1-12-5-7-13(8-6-12)18(23)19(25)24-17-4-2-3-14-11-15(26-20(21)22)9-10-16(14)17/h5-11,17-18,20H,2-4,23H2,1H3,(H,24,25)
InChIKeyCKEZQIPCLABNBI-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.79
Rot. Bonds5

About 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide

2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide (PubChem CID 120668049) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide
PubChem CID120668049
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NC2CCCc3cc(OC(F)F)ccc32)cc1
InChIInChI=1S/C20H22F2N2O2/c1-12-5-7-13(8-6-12)18(23)19(25)24-17-4-2-3-14-11-15(26-20(21)22)9-10-16(14)17/h5-11,17-18,20H,2-4,23H2,1H3,(H,24,25)
InChIKeyCKEZQIPCLABNBI-UHFFFAOYSA-N
XLogP3.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide;hydrochloride
CID 119310232
2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790835
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 56800355
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 119310217
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 60605486
1-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119310236
(2R)-2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119289450
N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 94826773
3-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide
CID 119760686
4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride
CID 120590890
1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 95315778
N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 95346227

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide (CID 120668049) is 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NC2CCCc3cc(OC(F)F)ccc32)cc1.
What is the InChIKey of 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is CKEZQIPCLABNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-12-5-7-13(8-6-12)18(23)19(25)24-17-4-2-3-14-11-15(26-20(21)22)9-10-16(14)17/h5-11,17-18,20H,2-4,23H2,1H3,(H,24,25).
What are the key properties of 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide?
2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 360.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 120668049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).