N-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide

C14H17F3N2O2 — CID 108941680

IUPACN-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide
SMILESCC(C)CNC(=O)CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c1-9(2)8-18-12(20)7-13(21)19-11-5-3-10(4-6-11)14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKCWYIJABLNFJIG-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.81
Rot. Bonds5

About N-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide

N-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108941680) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide
PubChem CID108941680
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide
SMILESCC(C)CNC(=O)CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c1-9(2)8-18-12(20)7-13(21)19-11-5-3-10(4-6-11)14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKCWYIJABLNFJIG-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86976279
2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 112686648
3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109102234
N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 51471474
1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 63732530
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60648393
2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812
N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956121
2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
CID 112999463
2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113158240
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide (CID 108941680) is N-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide is CC(C)CNC(=O)CC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is KCWYIJABLNFJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9(2)8-18-12(20)7-13(21)19-11-5-3-10(4-6-11)14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide?
N-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 302.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108941680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).