2-methyl-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxamide

C21H24F3N3O2 — CID 11857345

IUPAC2-methyl-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxamide
SMILESCn1ccnc1C(=O)CNC(=O)C1CC1(C)c1ccc(C(C)(C)C(F)(F)F)cc1
InChIInChI=1S/C21H24F3N3O2/c1-19(2,21(22,23)24)13-5-7-14(8-6-13)20(3)11-15(20)18(29)26-12-16(28)17-25-9-10-27(17)4/h5-10,15H,11-12H2,1-4H3,(H,26,29)
InChIKeyRLNYXJLOSJMXMV-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.54
Rot. Bonds6

About 2-methyl-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxamide

2-methyl-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 11857345) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID11857345
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name2-methyl-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxamide
SMILESCn1ccnc1C(=O)CNC(=O)C1CC1(C)c1ccc(C(C)(C)C(F)(F)F)cc1
InChIInChI=1S/C21H24F3N3O2/c1-19(2,21(22,23)24)13-5-7-14(8-6-13)20(3)11-15(20)18(29)26-12-16(28)17-25-9-10-27(17)4/h5-10,15H,11-12H2,1-4H3,(H,26,29)
InChIKeyRLNYXJLOSJMXMV-UHFFFAOYSA-N
XLogP3.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxamide (CID 11857345) is 2-methyl-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxamide is Cn1ccnc1C(=O)CNC(=O)C1CC1(C)c1ccc(C(C)(C)C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is RLNYXJLOSJMXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c1-19(2,21(22,23)24)13-5-7-14(8-6-13)20(3)11-15(20)18(29)26-12-16(28)17-25-9-10-27(17)4/h5-10,15H,11-12H2,1-4H3,(H,26,29).
What are the key properties of 2-methyl-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxamide?
2-methyl-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 407.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 11857345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).