5-N-ethyl-2-N-methyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide

C18H20F3N3O3 — CID 170735599

IUPAC5-N-ethyl-2-N-methyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide
SMILESCCNC(=O)c1cc(O[C@@H](C)c2cccc(C(F)(F)F)c2)c(C(=O)NC)[nH]1
InChIInChI=1S/C18H20F3N3O3/c1-4-23-16(25)13-9-14(15(24-13)17(26)22-3)27-10(2)11-6-5-7-12(8-11)18(19,20)21/h5-10,24H,4H2,1-3H3,(H,22,26)(H,23,25)/t10-/m0/s1
InChIKeyVHHGXVMVZKASHT-JTQLQIEISA-N
MW383.37 g/mol
LogP3.28
Rot. Bonds6

About 5-N-ethyl-2-N-methyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide

5-N-ethyl-2-N-methyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide (PubChem CID 170735599) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 5-N-ethyl-2-N-methyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-ethyl-2-N-methyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide
PubChem CID170735599
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name5-N-ethyl-2-N-methyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide
SMILESCCNC(=O)c1cc(O[C@@H](C)c2cccc(C(F)(F)F)c2)c(C(=O)NC)[nH]1
InChIInChI=1S/C18H20F3N3O3/c1-4-23-16(25)13-9-14(15(24-13)17(26)22-3)27-10(2)11-6-5-7-12(8-11)18(19,20)21/h5-10,24H,4H2,1-3H3,(H,22,26)(H,23,25)/t10-/m0/s1
InChIKeyVHHGXVMVZKASHT-JTQLQIEISA-N
XLogP3.28
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-ethyl-2-N-methyl-3-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide
CID 170735686
2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide
CID 170735550
3-[2-(3-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 174173731
3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine
CID 172798523
4-[1-(1,3-dihydro-2-benzofuran-4-yl)ethoxy]-N-ethyl-5-(2-iodoacetyl)-1H-pyrrole-2-carboxamide
CID 174178648
N-methyl-3-[(1R)-1-phenylethoxy]-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 170735733
3-[5-chloro-2-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]phenoxy]azetidine;2,2,2-trifluoroacetic acid
CID 87365346
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide
CID 8750240
methyl (2S)-2-diethoxyphosphoryl-2-[3-(trifluoromethyl)phenyl]acetate
CID 124633723
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide
CID 139489207
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-2-N-methyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide?
The IUPAC name of 5-N-ethyl-2-N-methyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide (CID 170735599) is 5-N-ethyl-2-N-methyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide.
What is the SMILES notation for 5-N-ethyl-2-N-methyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide?
The canonical SMILES for 5-N-ethyl-2-N-methyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide is CCNC(=O)c1cc(O[C@@H](C)c2cccc(C(F)(F)F)c2)c(C(=O)NC)[nH]1.
What is the InChIKey of 5-N-ethyl-2-N-methyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide?
The InChIKey is VHHGXVMVZKASHT-JTQLQIEISA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-4-23-16(25)13-9-14(15(24-13)17(26)22-3)27-10(2)11-6-5-7-12(8-11)18(19,20)21/h5-10,24H,4H2,1-3H3,(H,22,26)(H,23,25)/t10-/m0/s1.
What are the key properties of 5-N-ethyl-2-N-methyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide?
5-N-ethyl-2-N-methyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide has a molecular weight of 383.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-2-N-methyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide is sourced from PubChem (CID 170735599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).