1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide

C19H19ClF3N3O — CID 42961928

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1c1ncc(C(F)(F)F)cc1Cl)c1ccccc1
InChIInChI=1S/C19H19ClF3N3O/c1-12(13-6-3-2-4-7-13)25-18(27)16-8-5-9-26(16)17-15(20)10-14(11-24-17)19(21,22)23/h2-4,6-7,10-12,16H,5,8-9H2,1H3,(H,25,27)
InChIKeyBXJNYTCIYBOTSQ-UHFFFAOYSA-N
MW397.83 g/mol
LogP4.60
Rot. Bonds4

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide (PubChem CID 42961928) has the molecular formula C19H19ClF3N3O and a molecular weight of 397.83 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide
PubChem CID42961928
Molecular FormulaC19H19ClF3N3O
Molecular Weight397.83 g/mol
Exact Mass397.12
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1c1ncc(C(F)(F)F)cc1Cl)c1ccccc1
InChIInChI=1S/C19H19ClF3N3O/c1-12(13-6-3-2-4-7-13)25-18(27)16-8-5-9-26(16)17-15(20)10-14(11-24-17)19(21,22)23/h2-4,6-7,10-12,16H,5,8-9H2,1H3,(H,25,27)
InChIKeyBXJNYTCIYBOTSQ-UHFFFAOYSA-N
XLogP4.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide (CID 42961928) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide is CC(NC(=O)C1CCCN1c1ncc(C(F)(F)F)cc1Cl)c1ccccc1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide?
The InChIKey is BXJNYTCIYBOTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O/c1-12(13-6-3-2-4-7-13)25-18(27)16-8-5-9-26(16)17-15(20)10-14(11-24-17)19(21,22)23/h2-4,6-7,10-12,16H,5,8-9H2,1H3,(H,25,27).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide has a molecular weight of 397.83 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42961928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).