(2R)-N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-2-carboxamide

C15H14ClF3N2O2 — CID 99835354

IUPAC(2R)-N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)N1
InChIInChI=1S/C15H14ClF3N2O2/c16-10-2-1-8(15(17,18)19)7-9(10)14(5-6-14)21-13(23)11-3-4-12(22)20-11/h1-2,7,11H,3-6H2,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyXNXATZSJJYACJC-LLVKDONJSA-N
MW346.74 g/mol
LogP2.74
Rot. Bonds3

About (2R)-N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 99835354) has the molecular formula C15H14ClF3N2O2 and a molecular weight of 346.74 g/mol. Its IUPAC name is (2R)-N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID99835354
Molecular FormulaC15H14ClF3N2O2
Molecular Weight346.74 g/mol
Exact Mass346.07
IUPAC Name(2R)-N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)N1
InChIInChI=1S/C15H14ClF3N2O2/c16-10-2-1-8(15(17,18)19)7-9(10)14(5-6-14)21-13(23)11-3-4-12(22)20-11/h1-2,7,11H,3-6H2,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyXNXATZSJJYACJC-LLVKDONJSA-N
XLogP2.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.74
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-2-carboxamide (CID 99835354) is (2R)-N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@H](C(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)N1.
What is the InChIKey of (2R)-N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is XNXATZSJJYACJC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14ClF3N2O2/c16-10-2-1-8(15(17,18)19)7-9(10)14(5-6-14)21-13(23)11-3-4-12(22)20-11/h1-2,7,11H,3-6H2,(H,20,22)(H,21,23)/t11-/m1/s1.
What are the key properties of (2R)-N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 346.74 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 99835354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).