N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

C19H19F3N2O2 — CID 108501318

IUPACN-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H19F3N2O2/c1-2-3-5-13-8-10-15(11-9-13)23-17(25)18(26)24-16-7-4-6-14(12-16)19(20,21)22/h4,6-12H,2-3,5H2,1H3,(H,23,25)(H,24,26)
InChIKeyHWQNCAKTPZDRMJ-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.63
Rot. Bonds5

About N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 108501318) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID108501318
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H19F3N2O2/c1-2-3-5-13-8-10-15(11-9-13)23-17(25)18(26)24-16-7-4-6-14(12-16)19(20,21)22/h4,6-12H,2-3,5H2,1H3,(H,23,25)(H,24,26)
InChIKeyHWQNCAKTPZDRMJ-UHFFFAOYSA-N
XLogP4.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
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

1-(4-hexylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 27255794
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide
CID 108502479
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide
CID 91423185
N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 4583432
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
N-(4-butylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 126310646
N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108987361
N-[3-amino-4-(4-butylphenyl)sulfanylphenyl]-3-(trifluoromethyl)benzamide
CID 174670841
4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46500977

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (CID 108501318) is N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is CCCCc1ccc(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is HWQNCAKTPZDRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-2-3-5-13-8-10-15(11-9-13)23-17(25)18(26)24-16-7-4-6-14(12-16)19(20,21)22/h4,6-12H,2-3,5H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 364.37 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108501318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).