N'-[4-(trifluoromethoxy)phenyl]propanediamide

C10H9F3N2O3 — CID 140529911

IUPACN'-[4-(trifluoromethoxy)phenyl]propanediamide
SMILESNC(=O)CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)18-7-3-1-6(2-4-7)15-9(17)5-8(14)16/h1-4H,5H2,(H2,14,16)(H,15,17)
InChIKeyQPWINIQEVYQSQZ-UHFFFAOYSA-N
MW262.19 g/mol
LogP1.40
Rot. Bonds4

About N'-[4-(trifluoromethoxy)phenyl]propanediamide

N'-[4-(trifluoromethoxy)phenyl]propanediamide (PubChem CID 140529911) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is N'-[4-(trifluoromethoxy)phenyl]propanediamide.

Molecular Properties

Compound NameN'-[4-(trifluoromethoxy)phenyl]propanediamide
PubChem CID140529911
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC NameN'-[4-(trifluoromethoxy)phenyl]propanediamide
SMILESNC(=O)CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)18-7-3-1-6(2-4-7)15-9(17)5-8(14)16/h1-4H,5H2,(H2,14,16)(H,15,17)
InChIKeyQPWINIQEVYQSQZ-UHFFFAOYSA-N
XLogP1.40
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 51.40
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

3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119262786
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957
2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5010640
5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 79198633
2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide
CID 111073649
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
2-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2678277
2-(2-hydroxyethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71628791
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
2-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18277342

Frequently Asked Questions

What is the IUPAC name of N'-[4-(trifluoromethoxy)phenyl]propanediamide?
The IUPAC name of N'-[4-(trifluoromethoxy)phenyl]propanediamide (CID 140529911) is N'-[4-(trifluoromethoxy)phenyl]propanediamide.
What is the SMILES notation for N'-[4-(trifluoromethoxy)phenyl]propanediamide?
The canonical SMILES for N'-[4-(trifluoromethoxy)phenyl]propanediamide is NC(=O)CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N'-[4-(trifluoromethoxy)phenyl]propanediamide?
The InChIKey is QPWINIQEVYQSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c11-10(12,13)18-7-3-1-6(2-4-7)15-9(17)5-8(14)16/h1-4H,5H2,(H2,14,16)(H,15,17).
What are the key properties of N'-[4-(trifluoromethoxy)phenyl]propanediamide?
N'-[4-(trifluoromethoxy)phenyl]propanediamide has a molecular weight of 262.19 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(trifluoromethoxy)phenyl]propanediamide is sourced from PubChem (CID 140529911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).