N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide

C12H10ClF3N2O3 — CID 110696868

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide
SMILESO=C1COCC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)N1
InChIInChI=1S/C12H10ClF3N2O3/c13-6-1-2-8(7(3-6)12(14,15)16)18-11(20)9-4-21-5-10(19)17-9/h1-3,9H,4-5H2,(H,17,19)(H,18,20)
InChIKeyYKSNMMFDUPUORD-UHFFFAOYSA-N
MW322.67 g/mol
LogP1.81
Rot. Bonds2

About N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide (PubChem CID 110696868) has the molecular formula C12H10ClF3N2O3 and a molecular weight of 322.67 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide
PubChem CID110696868
Molecular FormulaC12H10ClF3N2O3
Molecular Weight322.67 g/mol
Exact Mass322.03
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide
SMILESO=C1COCC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)N1
InChIInChI=1S/C12H10ClF3N2O3/c13-6-1-2-8(7(3-6)12(14,15)16)18-11(20)9-4-21-5-10(19)17-9/h1-3,9H,4-5H2,(H,17,19)(H,18,20)
InChIKeyYKSNMMFDUPUORD-UHFFFAOYSA-N
XLogP1.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.67
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 110682207
N-[(4-chlorophenyl)methyl]-5-oxomorpholine-3-carboxamide
CID 110696712
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067123
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 113008466
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75085786
5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254921
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144626
(3R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 40986066
N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide
CID 110696884
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide
CID 110863811
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
CID 3867881

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide (CID 110696868) is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide is O=C1COCC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)N1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide?
The InChIKey is YKSNMMFDUPUORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O3/c13-6-1-2-8(7(3-6)12(14,15)16)18-11(20)9-4-21-5-10(19)17-9/h1-3,9H,4-5H2,(H,17,19)(H,18,20).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide has a molecular weight of 322.67 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 110696868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).