N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide

C17H21F3N2O — CID 118788413

IUPACN-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC1(CN2CCCC2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H21F3N2O/c18-17(19,20)14-6-2-1-5-13(14)15(23)21-11-16(7-8-16)12-22-9-3-4-10-22/h1-2,5-6H,3-4,7-12H2,(H,21,23)
InChIKeyRBACAQPJTHERPW-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.31
Rot. Bonds5

About N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide

N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 118788413) has the molecular formula C17H21F3N2O and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID118788413
Molecular FormulaC17H21F3N2O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC NameN-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC1(CN2CCCC2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H21F3N2O/c18-17(19,20)14-6-2-1-5-13(14)15(23)21-11-16(7-8-16)12-22-9-3-4-10-22/h1-2,5-6H,3-4,7-12H2,(H,21,23)
InChIKeyRBACAQPJTHERPW-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide
CID 75456837
N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-2-(trifluoromethyl)benzamide
CID 146080090
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide
CID 115365396
2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide
CID 111859437
N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 119619762
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide
CID 16889920
N-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 119446542
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide
CID 91958035
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 4807708
4-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 103925334

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide (CID 118788413) is N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide is O=C(NCC1(CN2CCCC2)CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is RBACAQPJTHERPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O/c18-17(19,20)14-6-2-1-5-13(14)15(23)21-11-16(7-8-16)12-22-9-3-4-10-22/h1-2,5-6H,3-4,7-12H2,(H,21,23).
What are the key properties of N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide?
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 326.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 118788413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).