N-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C19H19F3N2O — CID 11210227

IUPACN-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(c1ccccc1)N(Cc1cccc(C(F)(F)F)c1)C1CCNC1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)16-8-4-5-14(11-16)13-24(17-9-10-23-12-17)18(25)15-6-2-1-3-7-15/h1-8,11,17,23H,9-10,12-13H2
InChIKeySPZJFBIJDWPUAL-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.71
Rot. Bonds4

About N-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

N-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 11210227) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID11210227
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC NameN-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(c1ccccc1)N(Cc1cccc(C(F)(F)F)c1)C1CCNC1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)16-8-4-5-14(11-16)13-24(17-9-10-23-12-17)18(25)15-6-2-1-3-7-15/h1-8,11,17,23H,9-10,12-13H2
InChIKeySPZJFBIJDWPUAL-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119553639
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CID 60806173
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)benzamide
CID 8781843
N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 97202795
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 63642278
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide
CID 38363519
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide
CID 119531195
2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
CID 135384501
1-(pyrrolidin-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 117235427
N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698347

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 11210227) is N-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is O=C(c1ccccc1)N(Cc1cccc(C(F)(F)F)c1)C1CCNC1.
What is the InChIKey of N-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is SPZJFBIJDWPUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c20-19(21,22)16-8-4-5-14(11-16)13-24(17-9-10-23-12-17)18(25)15-6-2-1-3-7-15/h1-8,11,17,23H,9-10,12-13H2.
What are the key properties of N-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
N-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 348.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 11210227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).