2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide

C15H19F3N4O2 — CID 86919769

IUPAC2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC=CCNC(=O)Nc1ccc(NC(C)C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N4O2/c1-3-8-19-14(24)22-12-6-4-11(5-7-12)21-10(2)13(23)20-9-15(16,17)18/h3-7,10,21H,1,8-9H2,2H3,(H,20,23)(H2,19,22,24)
InChIKeyMVDXVPCJEKWRKD-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.47
Rot. Bonds7

About 2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide

2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 86919769) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID86919769
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC=CCNC(=O)Nc1ccc(NC(C)C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N4O2/c1-3-8-19-14(24)22-12-6-4-11(5-7-12)21-10(2)13(23)20-9-15(16,17)18/h3-7,10,21H,1,8-9H2,2H3,(H,20,23)(H2,19,22,24)
InChIKeyMVDXVPCJEKWRKD-UHFFFAOYSA-N
XLogP2.47
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromoanilino)-N-prop-2-enylpropanamide
CID 43086744
(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide
CID 28843279
3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 47146192
1-[4-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-3-prop-2-enylurea
CID 95624373
1-(4-hydroxyphenyl)-3-prop-2-enylurea
CID 67731511
2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide
CID 47065396
(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 39912363
1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 61347612
1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea
CID 115575971
(2S)-2-amino-3,3-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride
CID 119702311
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 40940064
N-prop-2-enyl-2-(4-propoxyanilino)propanamide
CID 62328512

Frequently Asked Questions

What is the IUPAC name of 2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide (CID 86919769) is 2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide is C=CCNC(=O)Nc1ccc(NC(C)C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is MVDXVPCJEKWRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-3-8-19-14(24)22-12-6-4-11(5-7-12)21-10(2)13(23)20-9-15(16,17)18/h3-7,10,21H,1,8-9H2,2H3,(H,20,23)(H2,19,22,24).
What are the key properties of 2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 344.34 g/mol, XLogP of 2.47, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 86919769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).