N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide

C17H11ClF6N2O2 — CID 108506154

IUPACN'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H11ClF6N2O2/c18-13-4-2-1-3-9(13)8-25-14(27)15(28)26-12-6-10(16(19,20)21)5-11(7-12)17(22,23)24/h1-7H,8H2,(H,25,27)(H,26,28)
InChIKeyBXBSFRUMUGYDGF-UHFFFAOYSA-N
MW424.73 g/mol
LogP4.63
Rot. Bonds3

About N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide

N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide (PubChem CID 108506154) has the molecular formula C17H11ClF6N2O2 and a molecular weight of 424.73 g/mol. Its IUPAC name is N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide
PubChem CID108506154
Molecular FormulaC17H11ClF6N2O2
Molecular Weight424.73 g/mol
Exact Mass424.04
IUPAC NameN'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H11ClF6N2O2/c18-13-4-2-1-3-9(13)8-25-14(27)15(28)26-12-6-10(16(19,20)21)5-11(7-12)17(22,23)24/h1-7H,8H2,(H,25,27)(H,26,28)
InChIKeyBXBSFRUMUGYDGF-UHFFFAOYSA-N
XLogP4.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.73
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-N'-(3,5-dichlorophenyl)oxamide
CID 108506161
N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000500
1-[(2-chlorophenyl)methyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17087720
N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide
CID 108506114
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide
CID 108984915
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833843
N-[(2-chlorophenyl)methyl]-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide
CID 56764248
N-[(2-chlorophenyl)methyl]-N'-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide
CID 95367454
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 60620663
methyl 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoacetyl]amino]benzoate
CID 7585238
1-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 45112292
N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide
CID 2266307

Frequently Asked Questions

What is the IUPAC name of N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide?
The IUPAC name of N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide (CID 108506154) is N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide.
What is the SMILES notation for N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide?
The canonical SMILES for N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide is O=C(NCc1ccccc1Cl)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide?
The InChIKey is BXBSFRUMUGYDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF6N2O2/c18-13-4-2-1-3-9(13)8-25-14(27)15(28)26-12-6-10(16(19,20)21)5-11(7-12)17(22,23)24/h1-7H,8H2,(H,25,27)(H,26,28).
What are the key properties of N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide?
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide has a molecular weight of 424.73 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide is sourced from PubChem (CID 108506154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).