N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide

C13H12ClF3N2O3 — CID 110686957

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESO=C(CCN1CCOC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H12ClF3N2O3/c14-10-2-1-8(7-9(10)13(15,16)17)18-11(20)3-4-19-5-6-22-12(19)21/h1-2,7H,3-6H2,(H,18,20)
InChIKeyCNYFRXUCSHJZFN-UHFFFAOYSA-N
MW336.70 g/mol
LogP3.14
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide (PubChem CID 110686957) has the molecular formula C13H12ClF3N2O3 and a molecular weight of 336.70 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
PubChem CID110686957
Molecular FormulaC13H12ClF3N2O3
Molecular Weight336.70 g/mol
Exact Mass336.05
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESO=C(CCN1CCOC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H12ClF3N2O3/c14-10-2-1-8(7-9(10)13(15,16)17)18-11(20)3-4-19-5-6-22-12(19)21/h1-2,7H,3-6H2,(H,18,20)
InChIKeyCNYFRXUCSHJZFN-UHFFFAOYSA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.70
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686958
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylpropanamide
CID 110688243
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide
CID 109013943
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide
CID 109028574
3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide
CID 47072562
N-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378353
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 2219815
N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378611
N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47377806
N-(4-acetylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378519
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide
CID 94285475
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136418

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide (CID 110686957) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide is O=C(CCN1CCOC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The InChIKey is CNYFRXUCSHJZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O3/c14-10-2-1-8(7-9(10)13(15,16)17)18-11(20)3-4-19-5-6-22-12(19)21/h1-2,7H,3-6H2,(H,18,20).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide has a molecular weight of 336.70 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide is sourced from PubChem (CID 110686957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).