N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide

C16H11ClF4N2O2 — CID 108984915

IUPACN'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccccc1F)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H11ClF4N2O2/c17-11-6-5-10(16(19,20)21)7-13(11)23-15(25)14(24)22-8-9-3-1-2-4-12(9)18/h1-7H,8H2,(H,22,24)(H,23,25)
InChIKeyWSGUYXGBTXWLJS-UHFFFAOYSA-N
MW374.72 g/mol
LogP3.75
Rot. Bonds3

About N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide

N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide (PubChem CID 108984915) has the molecular formula C16H11ClF4N2O2 and a molecular weight of 374.72 g/mol. Its IUPAC name is N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide
PubChem CID108984915
Molecular FormulaC16H11ClF4N2O2
Molecular Weight374.72 g/mol
Exact Mass374.04
IUPAC NameN'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccccc1F)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H11ClF4N2O2/c17-11-6-5-10(16(19,20)21)7-13(11)23-15(25)14(24)22-8-9-3-1-2-4-12(9)18/h1-7H,8H2,(H,22,24)(H,23,25)
InChIKeyWSGUYXGBTXWLJS-UHFFFAOYSA-N
XLogP3.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.72
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide 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

1-[(2-chlorophenyl)methyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17087720
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide
CID 86919834
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 108506154
N-(4-chlorophenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]oxamide
CID 108987079
N-[(2-fluorophenyl)methyl]-N'-(2-hydroxyphenyl)oxamide
CID 108514358
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190
N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000500
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000084
N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 108520475
N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962504
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 113000074
N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
CID 17154442

Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide (CID 108984915) is N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide is O=C(NCc1ccccc1F)C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide?
The InChIKey is WSGUYXGBTXWLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF4N2O2/c17-11-6-5-10(16(19,20)21)7-13(11)23-15(25)14(24)22-8-9-3-1-2-4-12(9)18/h1-7H,8H2,(H,22,24)(H,23,25).
What are the key properties of N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide?
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide has a molecular weight of 374.72 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 108984915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).