(3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide

C19H28FN3O2 — CID 124574545

IUPAC(3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide
SMILESCc1cc(F)ccc1CCNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1
InChIInChI=1S/C19H28FN3O2/c1-14-11-17(20)4-3-16(14)5-6-21-19(24)23-12-15(2)18(13-23)22-7-9-25-10-8-22/h3-4,11,15,18H,5-10,12-13H2,1-2H3,(H,21,24)/t15-,18-/m1/s1
InChIKeyUFPKAXBCNYELJO-CRAIPNDOSA-N
MW349.45 g/mol
LogP2.04
Rot. Bonds4

About (3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide

(3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide (PubChem CID 124574545) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is (3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide
PubChem CID124574545
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name(3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide
SMILESCc1cc(F)ccc1CCNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1
InChIInChI=1S/C19H28FN3O2/c1-14-11-17(20)4-3-16(14)5-6-21-19(24)23-12-15(2)18(13-23)22-7-9-25-10-8-22/h3-4,11,15,18H,5-10,12-13H2,1-2H3,(H,21,24)/t15-,18-/m1/s1
InChIKeyUFPKAXBCNYELJO-CRAIPNDOSA-N
XLogP2.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide (CID 124574545) is (3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide is Cc1cc(F)ccc1CCNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1.
What is the InChIKey of (3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is UFPKAXBCNYELJO-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-14-11-17(20)4-3-16(14)5-6-21-19(24)23-12-15(2)18(13-23)22-7-9-25-10-8-22/h3-4,11,15,18H,5-10,12-13H2,1-2H3,(H,21,24)/t15-,18-/m1/s1.
What are the key properties of (3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide?
(3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 349.45 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 124574545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).