N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-2-carboxamide

C16H16F3NO3 — CID 95629648

IUPACN-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-2-carboxamide
SMILESCOC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccco1
InChIInChI=1S/C16H16F3NO3/c1-20(15(21)14-7-4-8-23-14)13(10-22-2)11-5-3-6-12(9-11)16(17,18)19/h3-9,13H,10H2,1-2H3/t13-/m0/s1
InChIKeyRJELTQOZLKEZRT-ZDUSSCGKSA-N
MW327.30 g/mol
LogP3.76
Rot. Bonds5

About N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-2-carboxamide

N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-2-carboxamide (PubChem CID 95629648) has the molecular formula C16H16F3NO3 and a molecular weight of 327.30 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-2-carboxamide
PubChem CID95629648
Molecular FormulaC16H16F3NO3
Molecular Weight327.30 g/mol
Exact Mass327.11
IUPAC NameN-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-2-carboxamide
SMILESCOC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccco1
InChIInChI=1S/C16H16F3NO3/c1-20(15(21)14-7-4-8-23-14)13(10-22-2)11-5-3-6-12(9-11)16(17,18)19/h3-9,13H,10H2,1-2H3/t13-/m0/s1
InChIKeyRJELTQOZLKEZRT-ZDUSSCGKSA-N
XLogP3.76
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-3-carboxamide
CID 56792129
3-[[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 99814785
2-[[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]acetonitrile
CID 95629809
N-benzhydryl-N-methylfuran-2-carboxamide
CID 2510238
N-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide
CID 51150523
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(1-methoxypropan-2-yl)urea
CID 111108807
3-(diethylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 64527201
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide
CID 47932845
N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 95571773
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 4803620
6-(furan-2-yl)-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 86970868
N-[1-oxo-1-[2-[3-(trifluoromethyl)phenoxy]ethylamino]propan-2-yl]furan-2-carboxamide
CID 51120496

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-2-carboxamide (CID 95629648) is N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-2-carboxamide is COC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccco1.
What is the InChIKey of N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-2-carboxamide?
The InChIKey is RJELTQOZLKEZRT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16F3NO3/c1-20(15(21)14-7-4-8-23-14)13(10-22-2)11-5-3-6-12(9-11)16(17,18)19/h3-9,13H,10H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-2-carboxamide?
N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-2-carboxamide has a molecular weight of 327.30 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 95629648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).