N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-1-methylpyrrolidine-2-carboxamide

C19H18ClF3N2O — CID 59002695

IUPACN-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C19H18ClF3N2O/c1-25-10-2-3-17(25)18(26)24-14-7-4-12(5-8-14)15-11-13(19(21,22)23)6-9-16(15)20/h4-9,11,17H,2-3,10H2,1H3,(H,24,26)
InChIKeyUJYVGDUOPWAWKN-UHFFFAOYSA-N
MW382.81 g/mol
LogP5.06
Rot. Bonds3

About N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-1-methylpyrrolidine-2-carboxamide

N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 59002695) has the molecular formula C19H18ClF3N2O and a molecular weight of 382.81 g/mol. Its IUPAC name is N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-1-methylpyrrolidine-2-carboxamide
PubChem CID59002695
Molecular FormulaC19H18ClF3N2O
Molecular Weight382.81 g/mol
Exact Mass382.11
IUPAC NameN-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C19H18ClF3N2O/c1-25-10-2-3-17(25)18(26)24-14-7-4-12(5-8-14)15-11-13(19(21,22)23)6-9-16(15)20/h4-9,11,17H,2-3,10H2,1H3,(H,24,26)
InChIKeyUJYVGDUOPWAWKN-UHFFFAOYSA-N
XLogP5.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.81
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-1-methylpyrrolidine-2-carboxamide (CID 59002695) is N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-1-methylpyrrolidine-2-carboxamide is CN1CCCC1C(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is UJYVGDUOPWAWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O/c1-25-10-2-3-17(25)18(26)24-14-7-4-12(5-8-14)15-11-13(19(21,22)23)6-9-16(15)20/h4-9,11,17H,2-3,10H2,1H3,(H,24,26).
What are the key properties of N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-1-methylpyrrolidine-2-carboxamide?
N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 382.81 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59002695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).