N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide

C18H15F6NO4 — CID 2328696

IUPACN-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1
InChIInChI=1S/C18H15F6NO4/c1-27-13-4-2-11(3-5-13)16(26)25-12-6-14(28-9-17(19,20)21)8-15(7-12)29-10-18(22,23)24/h2-8H,9-10H2,1H3,(H,25,26)
InChIKeyOUGXWYSNLOGZED-UHFFFAOYSA-N
MW423.31 g/mol
LogP4.83
Rot. Bonds7

About N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide

N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide (PubChem CID 2328696) has the molecular formula C18H15F6NO4 and a molecular weight of 423.31 g/mol. Its IUPAC name is N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide
PubChem CID2328696
Molecular FormulaC18H15F6NO4
Molecular Weight423.31 g/mol
Exact Mass423.09
IUPAC NameN-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1
InChIInChI=1S/C18H15F6NO4/c1-27-13-4-2-11(3-5-13)16(26)25-12-6-14(28-9-17(19,20)21)8-15(7-12)29-10-18(22,23)24/h2-8H,9-10H2,1H3,(H,25,26)
InChIKeyOUGXWYSNLOGZED-UHFFFAOYSA-N
XLogP4.83
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010354
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 67311851
N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55606042
6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 134010368
4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 52545008
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 17349172
4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474776
3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 22682919
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-(3,5-dimethoxyphenyl)-4-(methylamino)benzamide
CID 62170663
N-[3-chloro-5-[(4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 68786791
N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 16770362

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide (CID 2328696) is N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1.
What is the InChIKey of N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide?
The InChIKey is OUGXWYSNLOGZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6NO4/c1-27-13-4-2-11(3-5-13)16(26)25-12-6-14(28-9-17(19,20)21)8-15(7-12)29-10-18(22,23)24/h2-8H,9-10H2,1H3,(H,25,26).
What are the key properties of N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide?
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide has a molecular weight of 423.31 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 2328696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).