N'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide

C19H19F3N2O2 — CID 7201553

IUPACN'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESCc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C19H19F3N2O2/c1-11-7-8-16(12(2)9-11)13(3)23-17(25)18(26)24-15-6-4-5-14(10-15)19(20,21)22/h4-10,13H,1-3H3,(H,23,25)(H,24,26)/t13-/m1/s1
InChIKeyCYVGPOVTJDOWEH-CYBMUJFWSA-N
MW364.37 g/mol
LogP4.14
Rot. Bonds3

About N'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide

N'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 7201553) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID7201553
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESCc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C19H19F3N2O2/c1-11-7-8-16(12(2)9-11)13(3)23-17(25)18(26)24-15-6-4-5-14(10-15)19(20,21)22/h4-10,13H,1-3H3,(H,23,25)(H,24,26)/t13-/m1/s1
InChIKeyCYVGPOVTJDOWEH-CYBMUJFWSA-N
XLogP4.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.14
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-(trifluoromethyl)phenyl]-N'-[1-(2,4,5-trimethylphenyl)ethyl]oxamide
CID 43906797
1-[1-(2,4-dimethylphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 17298996
1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea
CID 27474756
1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea
CID 45153652
1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4101764
N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501381
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
CID 19675250
2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78776683
N-[3-[1-(2,4-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43193742
1-[1-(2,4-dimethylphenyl)ethyl]-3-(3-fluorophenyl)thiourea
CID 19675224
N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108987361

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide (CID 7201553) is N'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide is Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1.
What is the InChIKey of N'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is CYVGPOVTJDOWEH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-11-7-8-16(12(2)9-11)13(3)23-17(25)18(26)24-15-6-4-5-14(10-15)19(20,21)22/h4-10,13H,1-3H3,(H,23,25)(H,24,26)/t13-/m1/s1.
What are the key properties of N'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide?
N'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 364.37 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 7201553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).