N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-1,2,3,4-tetrahydropyridine-3-carboxamide

C17H18ClF3N2O — CID 142846302

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-1,2,3,4-tetrahydropyridine-3-carboxamide
SMILESO=C(C1CC=CNC1)N(Cc1cccc(C(F)(F)F)c1Cl)C1CC1
InChIInChI=1S/C17H18ClF3N2O/c18-15-12(3-1-5-14(15)17(19,20)21)10-23(13-6-7-13)16(24)11-4-2-8-22-9-11/h1-3,5,8,11,13,22H,4,6-7,9-10H2
InChIKeyNZCUSMSGBQPXRV-UHFFFAOYSA-N
MW358.79 g/mol
LogP3.97
Rot. Bonds4

About N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-1,2,3,4-tetrahydropyridine-3-carboxamide

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-1,2,3,4-tetrahydropyridine-3-carboxamide (PubChem CID 142846302) has the molecular formula C17H18ClF3N2O and a molecular weight of 358.79 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-1,2,3,4-tetrahydropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-1,2,3,4-tetrahydropyridine-3-carboxamide
PubChem CID142846302
Molecular FormulaC17H18ClF3N2O
Molecular Weight358.79 g/mol
Exact Mass358.11
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-1,2,3,4-tetrahydropyridine-3-carboxamide
SMILESO=C(C1CC=CNC1)N(Cc1cccc(C(F)(F)F)c1Cl)C1CC1
InChIInChI=1S/C17H18ClF3N2O/c18-15-12(3-1-5-14(15)17(19,20)21)10-23(13-6-7-13)16(24)11-4-2-8-22-9-11/h1-3,5,8,11,13,22H,4,6-7,9-10H2
InChIKeyNZCUSMSGBQPXRV-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-1,2,3,4-tetrahydropyridine-3-carboxamide?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-1,2,3,4-tetrahydropyridine-3-carboxamide (CID 142846302) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-1,2,3,4-tetrahydropyridine-3-carboxamide.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-1,2,3,4-tetrahydropyridine-3-carboxamide?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-1,2,3,4-tetrahydropyridine-3-carboxamide is O=C(C1CC=CNC1)N(Cc1cccc(C(F)(F)F)c1Cl)C1CC1.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-1,2,3,4-tetrahydropyridine-3-carboxamide?
The InChIKey is NZCUSMSGBQPXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N2O/c18-15-12(3-1-5-14(15)17(19,20)21)10-23(13-6-7-13)16(24)11-4-2-8-22-9-11/h1-3,5,8,11,13,22H,4,6-7,9-10H2.
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-1,2,3,4-tetrahydropyridine-3-carboxamide?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-1,2,3,4-tetrahydropyridine-3-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-1,2,3,4-tetrahydropyridine-3-carboxamide is sourced from PubChem (CID 142846302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).