N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide

C11H11F3N2O — CID 174961803

IUPACN-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide
SMILESCCC(=O)NN=Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O/c1-2-10(17)16-15-7-8-3-5-9(6-4-8)11(12,13)14/h3-7H,2H2,1H3,(H,16,17)
InChIKeyXGOSVNRRCQMFAE-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.57
Rot. Bonds3

About N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide

N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide (PubChem CID 174961803) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide
PubChem CID174961803
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide
SMILESCCC(=O)NN=Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O/c1-2-10(17)16-15-7-8-3-5-9(6-4-8)11(12,13)14/h3-7H,2H2,1H3,(H,16,17)
InChIKeyXGOSVNRRCQMFAE-UHFFFAOYSA-N
XLogP2.57
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 29172527
N-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 126006156
2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 2353273
2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 2344438
1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea
CID 131985079
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
2-(3,4-dimethylphenoxy)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9316162
2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5338386
N-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide
CID 126180534
4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 7768186
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 8865692
N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide
CID 6012632

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide (CID 174961803) is N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide is CCC(=O)NN=Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide?
The InChIKey is XGOSVNRRCQMFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-2-10(17)16-15-7-8-3-5-9(6-4-8)11(12,13)14/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide?
N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide has a molecular weight of 244.22 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide is sourced from PubChem (CID 174961803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).