3-[(S)-(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C18H13Cl2F3N2O3 — CID 168849352

IUPAC3-[(S)-(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)C1CN([C@@H](c2ccc(Cl)cc2)c2ccc(Cl)c(C(F)(F)F)c2)C(=O)O1
InChIInChI=1S/C18H13Cl2F3N2O3/c19-11-4-1-9(2-5-11)15(25-8-14(16(24)26)28-17(25)27)10-3-6-13(20)12(7-10)18(21,22)23/h1-7,14-15H,8H2,(H2,24,26)/t14?,15-/m0/s1
InChIKeyAHVASLOSAYRKOF-LOACHALJSA-N
MW433.21 g/mol
LogP4.41
Rot. Bonds4

About 3-[(S)-(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

3-[(S)-(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 168849352) has the molecular formula C18H13Cl2F3N2O3 and a molecular weight of 433.21 g/mol. Its IUPAC name is 3-[(S)-(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name3-[(S)-(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID168849352
Molecular FormulaC18H13Cl2F3N2O3
Molecular Weight433.21 g/mol
Exact Mass432.03
IUPAC Name3-[(S)-(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)C1CN([C@@H](c2ccc(Cl)cc2)c2ccc(Cl)c(C(F)(F)F)c2)C(=O)O1
InChIInChI=1S/C18H13Cl2F3N2O3/c19-11-4-1-9(2-5-11)15(25-8-14(16(24)26)28-17(25)27)10-3-6-13(20)12(7-10)18(21,22)23/h1-7,14-15H,8H2,(H2,24,26)/t14?,15-/m0/s1
InChIKeyAHVASLOSAYRKOF-LOACHALJSA-N
XLogP4.41
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.21
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849321
3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849346
3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849449
3-[(S)-[3-chloro-4-(trifluoromethoxy)phenyl]-[1-(trifluoromethyl)pyrazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849433
1-[(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
CID 3529850
(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine
CID 138040700
1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4242773
1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 5035806
1-[[4-chloro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 3669274
1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid
CID 3992767
N-[(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166899012
3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 4869879

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of 3-[(S)-(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 168849352) is 3-[(S)-(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for 3-[(S)-(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for 3-[(S)-(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is NC(=O)C1CN([C@@H](c2ccc(Cl)cc2)c2ccc(Cl)c(C(F)(F)F)c2)C(=O)O1.
What is the InChIKey of 3-[(S)-(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is AHVASLOSAYRKOF-LOACHALJSA-N. The full InChI is InChI=1S/C18H13Cl2F3N2O3/c19-11-4-1-9(2-5-11)15(25-8-14(16(24)26)28-17(25)27)10-3-6-13(20)12(7-10)18(21,22)23/h1-7,14-15H,8H2,(H2,24,26)/t14?,15-/m0/s1.
What are the key properties of 3-[(S)-(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
3-[(S)-(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 433.21 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 168849352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).