N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

C16H12BrF3N2O2 — CID 108501480

IUPACN-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESCc1cc(Br)ccc1NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12BrF3N2O2/c1-9-7-11(17)5-6-13(9)22-15(24)14(23)21-12-4-2-3-10(8-12)16(18,19)20/h2-8H,1H3,(H,21,23)(H,22,24)
InChIKeyPGOHQXWSSSOBOM-UHFFFAOYSA-N
MW401.18 g/mol
LogP4.35
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 108501480) has the molecular formula C16H12BrF3N2O2 and a molecular weight of 401.18 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID108501480
Molecular FormulaC16H12BrF3N2O2
Molecular Weight401.18 g/mol
Exact Mass400.00
IUPAC NameN-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESCc1cc(Br)ccc1NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12BrF3N2O2/c1-9-7-11(17)5-6-13(9)22-15(24)14(23)21-12-4-2-3-10(8-12)16(18,19)20/h2-8H,1H3,(H,21,23)(H,22,24)
InChIKeyPGOHQXWSSSOBOM-UHFFFAOYSA-N
XLogP4.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.18
LogP ≤ 54.35
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'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide
CID 108526648
N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108515470
N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide
CID 108532618
N-(4-bromo-2-methylphenyl)-N'-(2-bromophenyl)oxamide
CID 108531900
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4180688
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
1-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
CID 54911411
2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17197570
N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 137129490
N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501381

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (CID 108501480) is N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is Cc1cc(Br)ccc1NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is PGOHQXWSSSOBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3N2O2/c1-9-7-11(17)5-6-13(9)22-15(24)14(23)21-12-4-2-3-10(8-12)16(18,19)20/h2-8H,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 401.18 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108501480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).