N-[7-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2,2,2-trifluoro-N-methylacetamide

C17H18F3NO2 — CID 142211407

IUPACN-[7-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2,2,2-trifluoro-N-methylacetamide
SMILESCC[C@H](C)Oc1ccc2cccc(N(C)C(=O)C(F)(F)F)c2c1
InChIInChI=1S/C17H18F3NO2/c1-4-11(2)23-13-9-8-12-6-5-7-15(14(12)10-13)21(3)16(22)17(18,19)20/h5-11H,4H2,1-3H3/t11-/m0/s1
InChIKeyYXBBLMMQQRGHGC-NSHDSACASA-N
MW325.33 g/mol
LogP4.54
Rot. Bonds4

About N-[7-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2,2,2-trifluoro-N-methylacetamide

N-[7-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 142211407) has the molecular formula C17H18F3NO2 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[7-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[7-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID142211407
Molecular FormulaC17H18F3NO2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC NameN-[7-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2,2,2-trifluoro-N-methylacetamide
SMILESCC[C@H](C)Oc1ccc2cccc(N(C)C(=O)C(F)(F)F)c2c1
InChIInChI=1S/C17H18F3NO2/c1-4-11(2)23-13-9-8-12-6-5-7-15(14(12)10-13)21(3)16(22)17(18,19)20/h5-11H,4H2,1-3H3/t11-/m0/s1
InChIKeyYXBBLMMQQRGHGC-NSHDSACASA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-[1-(dimethylamino)propan-2-yloxy]naphthalene-1-sulfonic acid
CID 89239858
S-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl] 2,2,2-trifluoroethanethioate
CID 88930774
4-butan-2-yloxybenzoic acid
CID 5132695
7-butan-2-yloxynaphthalen-2-ol
CID 43143670
1-(dimethylamino)-1-(7-methoxynaphthalen-1-yl)urea
CID 70274978
bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone
CID 131860857
4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 17197649
1-[3-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]propyl 2,2,2-trifluoroacetate
CID 87793467
3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid
CID 79624884
(1S)-1-(3-butan-2-yloxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 161056198
3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
CID 43878417
3-butan-2-yloxy-N-(3,3,3-trifluoropropyl)aniline
CID 64554822

Frequently Asked Questions

What is the IUPAC name of N-[7-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[7-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2,2,2-trifluoro-N-methylacetamide (CID 142211407) is N-[7-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[7-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[7-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2,2,2-trifluoro-N-methylacetamide is CC[C@H](C)Oc1ccc2cccc(N(C)C(=O)C(F)(F)F)c2c1.
What is the InChIKey of N-[7-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is YXBBLMMQQRGHGC-NSHDSACASA-N. The full InChI is InChI=1S/C17H18F3NO2/c1-4-11(2)23-13-9-8-12-6-5-7-15(14(12)10-13)21(3)16(22)17(18,19)20/h5-11H,4H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[7-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2,2,2-trifluoro-N-methylacetamide?
N-[7-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 325.33 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 142211407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).