N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopropanecarboxamide

C18H22F4N2O — CID 155146580

IUPACN-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopropanecarboxamide
SMILESCC(C)(N)CN(C(=O)C1CC1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H22F4N2O/c1-16(2,23)10-24(15(25)11-3-4-11)17(7-8-17)12-5-6-14(19)13(9-12)18(20,21)22/h5-6,9,11H,3-4,7-8,10,23H2,1-2H3
InChIKeyADOXTJFYZZZGQA-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.81
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopropanecarboxamide

N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopropanecarboxamide (PubChem CID 155146580) has the molecular formula C18H22F4N2O and a molecular weight of 358.38 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopropanecarboxamide
PubChem CID155146580
Molecular FormulaC18H22F4N2O
Molecular Weight358.38 g/mol
Exact Mass358.17
IUPAC NameN-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopropanecarboxamide
SMILESCC(C)(N)CN(C(=O)C1CC1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H22F4N2O/c1-16(2,23)10-24(15(25)11-3-4-11)17(7-8-17)12-5-6-14(19)13(9-12)18(20,21)22/h5-6,9,11H,3-4,7-8,10,23H2,1-2H3
InChIKeyADOXTJFYZZZGQA-UHFFFAOYSA-N
XLogP3.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopropanecarboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopropanecarboxamide (CID 155146580) is N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopropanecarboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopropanecarboxamide is CC(C)(N)CN(C(=O)C1CC1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopropanecarboxamide?
The InChIKey is ADOXTJFYZZZGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4N2O/c1-16(2,23)10-24(15(25)11-3-4-11)17(7-8-17)12-5-6-14(19)13(9-12)18(20,21)22/h5-6,9,11H,3-4,7-8,10,23H2,1-2H3.
What are the key properties of N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopropanecarboxamide?
N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopropanecarboxamide has a molecular weight of 358.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]cyclopropanecarboxamide is sourced from PubChem (CID 155146580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).