N-[3-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide

C21H20F4N2O — CID 118304146

IUPACN-[3-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide
SMILESO=C(N(c1cccc(C2CC2NCC2CC2)c1)c1ccccc1F)C(F)(F)F
InChIInChI=1S/C21H20F4N2O/c22-17-6-1-2-7-19(17)27(20(28)21(23,24)25)15-5-3-4-14(10-15)16-11-18(16)26-12-13-8-9-13/h1-7,10,13,16,18,26H,8-9,11-12H2
InChIKeyOHUPDQNULJGVAW-UHFFFAOYSA-N
MW392.40 g/mol
LogP4.91
Rot. Bonds6

About N-[3-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide

N-[3-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide (PubChem CID 118304146) has the molecular formula C21H20F4N2O and a molecular weight of 392.40 g/mol. Its IUPAC name is N-[3-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide
PubChem CID118304146
Molecular FormulaC21H20F4N2O
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC NameN-[3-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide
SMILESO=C(N(c1cccc(C2CC2NCC2CC2)c1)c1ccccc1F)C(F)(F)F
InChIInChI=1S/C21H20F4N2O/c22-17-6-1-2-7-19(17)27(20(28)21(23,24)25)15-5-3-4-14(10-15)16-11-18(16)26-12-13-8-9-13/h1-7,10,13,16,18,26H,8-9,11-12H2
InChIKeyOHUPDQNULJGVAW-UHFFFAOYSA-N
XLogP4.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride
CID 118305065
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 90214001
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(3,3-difluorocyclobutyl)benzamide;2,2,2-trifluoroacetic acid
CID 118304417
[3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 118304880
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide
CID 90214000
1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 118304774
tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate
CID 77144961
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide
CID 90214289
N-[[1,1-bis[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-2-phenylcyclopropan-1-amine chloride
CID 77144867
N-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304068
2-cyclopentyl-1-[3-[2-(oxan-4-ylmethylamino)cyclopropyl]phenyl]ethanone
CID 159215785

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide?
The IUPAC name of N-[3-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide (CID 118304146) is N-[3-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[3-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide is O=C(N(c1cccc(C2CC2NCC2CC2)c1)c1ccccc1F)C(F)(F)F.
What is the InChIKey of N-[3-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide?
The InChIKey is OHUPDQNULJGVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N2O/c22-17-6-1-2-7-19(17)27(20(28)21(23,24)25)15-5-3-4-14(10-15)16-11-18(16)26-12-13-8-9-13/h1-7,10,13,16,18,26H,8-9,11-12H2.
What are the key properties of N-[3-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide?
N-[3-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide has a molecular weight of 392.40 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 118304146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).