BEYWWSCFIXJMMF-SFHVURJKSA-N

Name: BEYWWSCFIXJMMF-SFHVURJKSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₅ClF₄N₂O₄ — CID 118884373

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(3S)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide

SMILESO=C(NCc1cc(F)cc(Cl)c1)[C@@]1(O)CCN(c2cccc(OC(F)(F)F)c2)C1=O

InChIInChI=1S/C19H15ClF4N2O4/c20-12-6-11(7-13(21)8-12)10-25-16(27)18(29)4-5-26(17(18)28)14-2-1-3-15(9-14)30-19(22,23)24/h1-3,6-9,29H,4-5,10H2,(H,25,27)/t18-/m0/s1

InChIKeyBEYWWSCFIXJMMF-SFHVURJKSA-N

MW446.78 g/mol

LogP3.16

Rot. Bonds5

About BEYWWSCFIXJMMF-SFHVURJKSA-N

BEYWWSCFIXJMMF-SFHVURJKSA-N (PubChem CID 118884373) has the molecular formula C₁₉H₁₅ClF₄N₂O₄ and a molecular weight of 446.78 g/mol. Its IUPAC name is (3S)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name	BEYWWSCFIXJMMF-SFHVURJKSA-N
PubChem CID	118884373
Molecular Formula	C₁₉H₁₅ClF₄N₂O₄
Molecular Weight	446.78 g/mol
Exact Mass	446.07
IUPAC Name	(3S)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
SMILES	O=C(NCc1cc(F)cc(Cl)c1)[C@@]1(O)CCN(c2cccc(OC(F)(F)F)c2)C1=O
InChI	InChI=1S/C19H15ClF4N2O4/c20-12-6-11(7-13(21)8-12)10-25-16(27)18(29)4-5-26(17(18)28)14-2-1-3-15(9-14)30-19(22,23)24/h1-3,6-9,29H,4-5,10H2,(H,25,27)/t18-/m0/s1
InChIKey	BEYWWSCFIXJMMF-SFHVURJKSA-N
XLogP	3.16
TPSA	78.87 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.78
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of BEYWWSCFIXJMMF-SFHVURJKSA-N?

The IUPAC name of BEYWWSCFIXJMMF-SFHVURJKSA-N (CID 118884373) is (3S)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for BEYWWSCFIXJMMF-SFHVURJKSA-N?

The canonical SMILES for BEYWWSCFIXJMMF-SFHVURJKSA-N is O=C(NCc1cc(F)cc(Cl)c1)[C@@]1(O)CCN(c2cccc(OC(F)(F)F)c2)C1=O.

What is the InChIKey of BEYWWSCFIXJMMF-SFHVURJKSA-N?

The InChIKey is BEYWWSCFIXJMMF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H15ClF4N2O4/c20-12-6-11(7-13(21)8-12)10-25-16(27)18(29)4-5-26(17(18)28)14-2-1-3-15(9-14)30-19(22,23)24/h1-3,6-9,29H,4-5,10H2,(H,25,27)/t18-/m0/s1.

What are the key properties of BEYWWSCFIXJMMF-SFHVURJKSA-N?

BEYWWSCFIXJMMF-SFHVURJKSA-N has a molecular weight of 446.78 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for BEYWWSCFIXJMMF-SFHVURJKSA-N is sourced from PubChem (CID 118884373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118884373 — identifiers, structure, computed properties (public domain)

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