N'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide

C18H17F3N2O3 — CID 108955782

IUPACN'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide
SMILESCOc1ccc(C)cc1NC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c1-11-6-7-15(26-2)14(8-11)23-17(25)10-16(24)22-13-5-3-4-12(9-13)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVGGWRBHFGODMKW-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.99
Rot. Bonds5

About N'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide

N'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108955782) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide
PubChem CID108955782
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide
SMILESCOc1ccc(C)cc1NC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c1-11-6-7-15(26-2)14(8-11)23-17(25)10-16(24)22-13-5-3-4-12(9-13)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVGGWRBHFGODMKW-UHFFFAOYSA-N
XLogP3.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1248291
N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide
CID 108953026
N-(2-methoxy-5-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 1019072
N'-[(3-methoxy-4-methylphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 3886822
N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109039094
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 45372412
3-[[2-(2-methoxyanilino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54817220
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
N-(2,5-dimethoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55345310
N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 5228336
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide (CID 108955782) is N'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide is COc1ccc(C)cc1NC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is VGGWRBHFGODMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-11-6-7-15(26-2)14(8-11)23-17(25)10-16(24)22-13-5-3-4-12(9-13)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide?
N'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 366.34 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108955782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).