1-(cyclohexylmethyl)-5-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide

C21H27F3N2O — CID 70948771

IUPAC1-(cyclohexylmethyl)-5-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide
SMILESCC1=C(C(N)=O)CC(c2cc(C(F)(F)F)ccc2C)N1CC1CCCCC1
InChIInChI=1S/C21H27F3N2O/c1-13-8-9-16(21(22,23)24)10-17(13)19-11-18(20(25)27)14(2)26(19)12-15-6-4-3-5-7-15/h8-10,15,19H,3-7,11-12H2,1-2H3,(H2,25,27)
InChIKeyHYXYOIXLUXYLNR-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.10
Rot. Bonds4

About 1-(cyclohexylmethyl)-5-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide

1-(cyclohexylmethyl)-5-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide (PubChem CID 70948771) has the molecular formula C21H27F3N2O and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide
PubChem CID70948771
Molecular FormulaC21H27F3N2O
Molecular Weight380.45 g/mol
Exact Mass380.21
IUPAC Name1-(cyclohexylmethyl)-5-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide
SMILESCC1=C(C(N)=O)CC(c2cc(C(F)(F)F)ccc2C)N1CC1CCCCC1
InChIInChI=1S/C21H27F3N2O/c1-13-8-9-16(21(22,23)24)10-17(13)19-11-18(20(25)27)14(2)26(19)12-15-6-4-3-5-7-15/h8-10,15,19H,3-7,11-12H2,1-2H3,(H2,25,27)
InChIKeyHYXYOIXLUXYLNR-UHFFFAOYSA-N
XLogP5.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-2H-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)benzamide
CID 59866217
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CID 70644364
[amino-[3-[2-(cyclopropylmethyl)-3-oxo-5-(trifluoromethyl)-1H-isoindol-1-yl]propanoylamino]methylidene]-methylazanium
CID 162549961
[(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]urea
CID 178034533
1-(cyclohexylmethyl)-2-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetyl]pyrrole-3-carboxamide
CID 134083273
[2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756836
3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine
CID 102757776
2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide
CID 94819890
ethyl 2-[(2S,4R)-2-(4-methylphenyl)-1-[1-[2-methyl-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]acetate
CID 70327773
2-amino-4-cyclohexyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 59367067
ethyl 2-ethyl-4-oxo-6-(trifluoromethyl)-2,3-dihydroquinoline-1-carboxylate
CID 11449872
2-[4-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 174745497

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-5-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide (CID 70948771) is 1-(cyclohexylmethyl)-5-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-5-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide is CC1=C(C(N)=O)CC(c2cc(C(F)(F)F)ccc2C)N1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide?
The InChIKey is HYXYOIXLUXYLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O/c1-13-8-9-16(21(22,23)24)10-17(13)19-11-18(20(25)27)14(2)26(19)12-15-6-4-3-5-7-15/h8-10,15,19H,3-7,11-12H2,1-2H3,(H2,25,27).
What are the key properties of 1-(cyclohexylmethyl)-5-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide?
1-(cyclohexylmethyl)-5-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide is sourced from PubChem (CID 70948771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).