2-[N-(trifluoromethoxy)anilino]propanamide

C10H11F3N2O2 — CID 19828057

IUPAC2-[N-(trifluoromethoxy)anilino]propanamide
SMILESCC(C(N)=O)N(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H11F3N2O2/c1-7(9(14)16)15(17-10(11,12)13)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,16)
InChIKeyKZBRENMNJVZWNX-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.82
Rot. Bonds4

About 2-[N-(trifluoromethoxy)anilino]propanamide

2-[N-(trifluoromethoxy)anilino]propanamide (PubChem CID 19828057) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-[N-(trifluoromethoxy)anilino]propanamide.

Molecular Properties

Compound Name2-[N-(trifluoromethoxy)anilino]propanamide
PubChem CID19828057
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2-[N-(trifluoromethoxy)anilino]propanamide
SMILESCC(C(N)=O)N(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H11F3N2O2/c1-7(9(14)16)15(17-10(11,12)13)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,16)
InChIKeyKZBRENMNJVZWNX-UHFFFAOYSA-N
XLogP1.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl(trifluoromethoxy)carbamic acid
CID 87790177
(2S)-2-(N-methoxyanilino)propanoic acid
CID 54118972
(2S)-2-(N-octylanilino)propanamide
CID 138373855
2-(N-(2-phenylacetyl)anilino)propanamide
CID 67696116
1,1,1-trifluoro-N-phenyl-N-(trifluoromethoxy)methanesulfonamide
CID 87990871
(2S)-2-(N-carbamoylanilino)propanoic acid
CID 54468578
phosphono (2S)-2-(N-methoxyanilino)propanoate
CID 57269453
methyl 2-(N-aminoanilino)propanoate
CID 11159863
2-methyl-N-phenyl-N-(trifluoromethyl)propanamide
CID 56944922
2-[(5-phenyl-1H-pyrazol-3-yl)-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]propanamide
CID 140519730
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
2-[(2-amino-2-oxoethyl)-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 62921694

Frequently Asked Questions

What is the IUPAC name of 2-[N-(trifluoromethoxy)anilino]propanamide?
The IUPAC name of 2-[N-(trifluoromethoxy)anilino]propanamide (CID 19828057) is 2-[N-(trifluoromethoxy)anilino]propanamide.
What is the SMILES notation for 2-[N-(trifluoromethoxy)anilino]propanamide?
The canonical SMILES for 2-[N-(trifluoromethoxy)anilino]propanamide is CC(C(N)=O)N(OC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-[N-(trifluoromethoxy)anilino]propanamide?
The InChIKey is KZBRENMNJVZWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-7(9(14)16)15(17-10(11,12)13)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,16).
What are the key properties of 2-[N-(trifluoromethoxy)anilino]propanamide?
2-[N-(trifluoromethoxy)anilino]propanamide has a molecular weight of 248.20 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(trifluoromethoxy)anilino]propanamide is sourced from PubChem (CID 19828057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).