(5S)-N-[1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C19H16Cl2F2N2O3 — CID 162520636

IUPAC(5S)-N-[1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(CCc2ccc(Cl)cc2)c2ccc(F)c(Cl)c2F)O1
InChIInChI=1S/C19H16Cl2F2N2O3/c20-11-4-1-10(2-5-11)3-8-14(12-6-7-13(22)16(21)17(12)23)25-18(26)15-9-24-19(27)28-15/h1-2,4-7,14-15H,3,8-9H2,(H,24,27)(H,25,26)/t14?,15-/m0/s1
InChIKeyIHBGFZPMEZEPDN-LOACHALJSA-N
MW429.25 g/mol
LogP4.17
Rot. Bonds6

About (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-N-[1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 162520636) has the molecular formula C19H16Cl2F2N2O3 and a molecular weight of 429.25 g/mol. Its IUPAC name is (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID162520636
Molecular FormulaC19H16Cl2F2N2O3
Molecular Weight429.25 g/mol
Exact Mass428.05
IUPAC Name(5S)-N-[1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(CCc2ccc(Cl)cc2)c2ccc(F)c(Cl)c2F)O1
InChIInChI=1S/C19H16Cl2F2N2O3/c20-11-4-1-10(2-5-11)3-8-14(12-6-7-13(22)16(21)17(12)23)25-18(26)15-9-24-19(27)28-15/h1-2,4-7,14-15H,3,8-9H2,(H,24,27)(H,25,26)/t14?,15-/m0/s1
InChIKeyIHBGFZPMEZEPDN-LOACHALJSA-N
XLogP4.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.25
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 162520636) is (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxo-1,3-oxazolidine-5-carboxamide is O=C1NC[C@@H](C(=O)NC(CCc2ccc(Cl)cc2)c2ccc(F)c(Cl)c2F)O1.
What is the InChIKey of (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is IHBGFZPMEZEPDN-LOACHALJSA-N. The full InChI is InChI=1S/C19H16Cl2F2N2O3/c20-11-4-1-10(2-5-11)3-8-14(12-6-7-13(22)16(21)17(12)23)25-18(26)15-9-24-19(27)28-15/h1-2,4-7,14-15H,3,8-9H2,(H,24,27)(H,25,26)/t14?,15-/m0/s1.
What are the key properties of (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 429.25 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 162520636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).