2-(4-tert-butyl-3-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide

C20H24FN3O2 — CID 11857344

IUPAC2-(4-tert-butyl-3-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide
SMILESCn1ccnc1C(=O)CNC(=O)C1CC1c1ccc(C(C)(C)C)c(F)c1
InChIInChI=1S/C20H24FN3O2/c1-20(2,3)15-6-5-12(9-16(15)21)13-10-14(13)19(26)23-11-17(25)18-22-7-8-24(18)4/h5-9,13-14H,10-11H2,1-4H3,(H,23,26)
InChIKeyNVKIUKDGBYQTEA-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.96
Rot. Bonds5

About 2-(4-tert-butyl-3-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide

2-(4-tert-butyl-3-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide (PubChem CID 11857344) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(4-tert-butyl-3-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-tert-butyl-3-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide
PubChem CID11857344
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-(4-tert-butyl-3-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide
SMILESCn1ccnc1C(=O)CNC(=O)C1CC1c1ccc(C(C)(C)C)c(F)c1
InChIInChI=1S/C20H24FN3O2/c1-20(2,3)15-6-5-12(9-16(15)21)13-10-14(13)19(26)23-11-17(25)18-22-7-8-24(18)4/h5-9,13-14H,10-11H2,1-4H3,(H,23,26)
InChIKeyNVKIUKDGBYQTEA-UHFFFAOYSA-N
XLogP2.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-tert-butyl-3-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

2-(4-tert-butyl-3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 67046563
trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96515120
2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119503198
2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone
CID 82468293
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111335296
2-(3,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119433012
2-(3,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 71863788
2-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 47016416
(2S)-2-[[2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695218
2-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide
CID 120831797
(2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone
CID 60659997
2-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120831796

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-3-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-tert-butyl-3-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide (CID 11857344) is 2-(4-tert-butyl-3-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-tert-butyl-3-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-tert-butyl-3-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide is Cn1ccnc1C(=O)CNC(=O)C1CC1c1ccc(C(C)(C)C)c(F)c1.
What is the InChIKey of 2-(4-tert-butyl-3-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide?
The InChIKey is NVKIUKDGBYQTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-20(2,3)15-6-5-12(9-16(15)21)13-10-14(13)19(26)23-11-17(25)18-22-7-8-24(18)4/h5-9,13-14H,10-11H2,1-4H3,(H,23,26).
What are the key properties of 2-(4-tert-butyl-3-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide?
2-(4-tert-butyl-3-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-3-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 11857344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).