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

C18H16ClF3N2O — CID 59002670

IUPACN-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cc1)C1CCCN1
InChIInChI=1S/C18H16ClF3N2O/c19-15-8-5-12(18(20,21)22)10-14(15)11-3-6-13(7-4-11)24-17(25)16-2-1-9-23-16/h3-8,10,16,23H,1-2,9H2,(H,24,25)
InChIKeyKNRNNSJUECXXQE-UHFFFAOYSA-N
MW368.79 g/mol
LogP4.72
Rot. Bonds3

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

N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 59002670) has the molecular formula C18H16ClF3N2O and a molecular weight of 368.79 g/mol. Its IUPAC name is N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID59002670
Molecular FormulaC18H16ClF3N2O
Molecular Weight368.79 g/mol
Exact Mass368.09
IUPAC NameN-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cc1)C1CCCN1
InChIInChI=1S/C18H16ClF3N2O/c19-15-8-5-12(18(20,21)22)10-14(15)11-3-6-13(7-4-11)24-17(25)16-2-1-9-23-16/h3-8,10,16,23H,1-2,9H2,(H,24,25)
InChIKeyKNRNNSJUECXXQE-UHFFFAOYSA-N
XLogP4.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.79
LogP ≤ 54.72
H-Bond Donors ≤ 52
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]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]pyrrolidine-2-carboxamide (CID 59002670) is N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cc1)C1CCCN1.
What is the InChIKey of N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is KNRNNSJUECXXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O/c19-15-8-5-12(18(20,21)22)10-14(15)11-3-6-13(7-4-11)24-17(25)16-2-1-9-23-16/h3-8,10,16,23H,1-2,9H2,(H,24,25).
What are the key properties of N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]pyrrolidine-2-carboxamide?
N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 368.79 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 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]pyrrolidine-2-carboxamide is sourced from PubChem (CID 59002670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).