N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]propanamide

C13H13F3N2O — CID 43112941

IUPACN-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]propanamide
SMILESC#CCNC(=O)C(C)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O/c1-3-7-17-12(19)9(2)18-11-6-4-5-10(8-11)13(14,15)16/h1,4-6,8-9,18H,7H2,2H3,(H,17,19)
InChIKeyWAKHTVGANYANCH-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.26
Rot. Bonds4

About N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]propanamide

N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]propanamide (PubChem CID 43112941) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]propanamide
PubChem CID43112941
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC NameN-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]propanamide
SMILESC#CCNC(=O)C(C)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O/c1-3-7-17-12(19)9(2)18-11-6-4-5-10(8-11)13(14,15)16/h1,4-6,8-9,18H,7H2,2H3,(H,17,19)
InChIKeyWAKHTVGANYANCH-UHFFFAOYSA-N
XLogP2.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-N-prop-2-ynylpropanamide
CID 43112793
2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide
CID 43420257
2-(4-fluoro-3-methylanilino)-N-prop-2-ynylpropanamide
CID 55118922
2-(4-phenylanilino)-N-prop-2-ynylpropanamide
CID 60720749
(2S)-3-fluoro-2-[3-(trifluoromethyl)anilino]butanoic acid
CID 67368661
4-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]benzamide
CID 43112981
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-prop-2-ynylpropanamide
CID 43113643
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-prop-2-ynylurea
CID 111108600
tert-butyl N-[2-[3-(trifluoromethyl)anilino]propyl]carbamate
CID 103387055
(2S)-N-(1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)anilino]propanamide
CID 2443696
(2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide
CID 28884943
(2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
CID 78972964

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]propanamide (CID 43112941) is N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]propanamide is C#CCNC(=O)C(C)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]propanamide?
The InChIKey is WAKHTVGANYANCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-3-7-17-12(19)9(2)18-11-6-4-5-10(8-11)13(14,15)16/h1,4-6,8-9,18H,7H2,2H3,(H,17,19).
What are the key properties of N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]propanamide?
N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]propanamide has a molecular weight of 270.25 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 43112941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).