N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C22H19F4N3O — CID 166198555

IUPACN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1cccc(F)c1
InChIInChI=1S/C22H19F4N3O/c1-29-10-9-27-20(29)19(14-3-2-4-16(23)11-14)28-21(30)18-12-17(18)13-5-7-15(8-6-13)22(24,25)26/h2-11,17-19H,12H2,1H3,(H,28,30)
InChIKeyYZASMSVKESTYNK-UHFFFAOYSA-N
MW417.41 g/mol
LogP4.59
Rot. Bonds5

About N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 166198555) has the molecular formula C22H19F4N3O and a molecular weight of 417.41 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID166198555
Molecular FormulaC22H19F4N3O
Molecular Weight417.41 g/mol
Exact Mass417.15
IUPAC NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1cccc(F)c1
InChIInChI=1S/C22H19F4N3O/c1-29-10-9-27-20(29)19(14-3-2-4-16(23)11-14)28-21(30)18-12-17(18)13-5-7-15(8-6-13)22(24,25)26/h2-11,17-19H,12H2,1H3,(H,28,30)
InChIKeyYZASMSVKESTYNK-UHFFFAOYSA-N
XLogP4.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 47016416
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762
2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide
CID 49158229
3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 119837332
(1R)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 31503500
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide
CID 55453673
(2R)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 31503253
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 25356221
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylcyclopropane-1-carboxamide
CID 51269204
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 95134781
1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea
CID 94149785
(Z)-3-(4-tert-butylphenyl)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 97433264

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 166198555) is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is Cn1ccnc1C(NC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is YZASMSVKESTYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N3O/c1-29-10-9-27-20(29)19(14-3-2-4-16(23)11-14)28-21(30)18-12-17(18)13-5-7-15(8-6-13)22(24,25)26/h2-11,17-19H,12H2,1H3,(H,28,30).
What are the key properties of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 417.41 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166198555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).