N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide

C13H16F3NO2 — CID 164894117

IUPACN,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide
SMILESCCN(CC)C(=O)c1cc(C(F)(F)F)ccc1OC
InChIInChI=1S/C13H16F3NO2/c1-4-17(5-2)12(18)10-8-9(13(14,15)16)6-7-11(10)19-3/h6-8H,4-5H2,1-3H3
InChIKeyHHTUFFXAUZXQGC-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.20
Rot. Bonds4

About N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide

N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide (PubChem CID 164894117) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide
PubChem CID164894117
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide
SMILESCCN(CC)C(=O)c1cc(C(F)(F)F)ccc1OC
InChIInChI=1S/C13H16F3NO2/c1-4-17(5-2)12(18)10-8-9(13(14,15)16)6-7-11(10)19-3/h6-8H,4-5H2,1-3H3
InChIKeyHHTUFFXAUZXQGC-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-2,2-difluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 146009299
4-[2-methoxy-5-(trifluoromethyl)phenyl]-4-oxobutanoic acid
CID 82262810
[4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate
CID 122517612
3-chloro-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one
CID 82262815
2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 167264759
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one
CID 146009309
2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one
CID 84706087
(E)-3-[2-methoxy-5-(trifluoromethyl)phenyl]hex-2-enoic acid
CID 83949724
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009331
N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide
CID 80711534
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 79667751
N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide
CID 115771373

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide?
The IUPAC name of N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide (CID 164894117) is N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide?
The canonical SMILES for N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide is CCN(CC)C(=O)c1cc(C(F)(F)F)ccc1OC.
What is the InChIKey of N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide?
The InChIKey is HHTUFFXAUZXQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-4-17(5-2)12(18)10-8-9(13(14,15)16)6-7-11(10)19-3/h6-8H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide?
N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide has a molecular weight of 275.27 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 164894117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).