3-(3,4,5-trifluoroanilino)propanamide

C9H9F3N2O — CID 62810096

IUPAC3-(3,4,5-trifluoroanilino)propanamide
SMILESNC(=O)CCNc1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H9F3N2O/c10-6-3-5(4-7(11)9(6)12)14-2-1-8(13)15/h3-4,14H,1-2H2,(H2,13,15)
InChIKeyIRJFQRHFKVYYTN-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.39
Rot. Bonds4

About 3-(3,4,5-trifluoroanilino)propanamide

3-(3,4,5-trifluoroanilino)propanamide (PubChem CID 62810096) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 3-(3,4,5-trifluoroanilino)propanamide.

Molecular Properties

Compound Name3-(3,4,5-trifluoroanilino)propanamide
PubChem CID62810096
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name3-(3,4,5-trifluoroanilino)propanamide
SMILESNC(=O)CCNc1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H9F3N2O/c10-6-3-5(4-7(11)9(6)12)14-2-1-8(13)15/h3-4,14H,1-2H2,(H2,13,15)
InChIKeyIRJFQRHFKVYYTN-UHFFFAOYSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dichloro-4-fluoroanilino)propanamide
CID 107573902
N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 82504640
3-(2,6-difluoro-3-methylanilino)propanamide
CID 82818003
N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide
CID 103896382
3-(3,4-dimethylanilino)propanamide
CID 43131963
3-[(3-amino-3-oxopropyl)amino]benzamide
CID 107811145
3-(2-amino-4-fluoro-5-methylanilino)propanamide
CID 103589966
2-[(3,4,5-trifluoroanilino)methyl]benzamide
CID 62809921
3-(3,5-dimethylanilino)propanamide;ethyl 3-(3,5-dimethylanilino)propanoate;methane
CID 160767961
3-(4-bromoanilino)propanamide;ethane
CID 169234714
3-(3,4-dicyanoanilino)propanamide
CID 107789225
4-[(3-amino-3-oxopropyl)amino]-2,3-difluorobenzoic acid
CID 79837698

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trifluoroanilino)propanamide?
The IUPAC name of 3-(3,4,5-trifluoroanilino)propanamide (CID 62810096) is 3-(3,4,5-trifluoroanilino)propanamide.
What is the SMILES notation for 3-(3,4,5-trifluoroanilino)propanamide?
The canonical SMILES for 3-(3,4,5-trifluoroanilino)propanamide is NC(=O)CCNc1cc(F)c(F)c(F)c1.
What is the InChIKey of 3-(3,4,5-trifluoroanilino)propanamide?
The InChIKey is IRJFQRHFKVYYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-6-3-5(4-7(11)9(6)12)14-2-1-8(13)15/h3-4,14H,1-2H2,(H2,13,15).
What are the key properties of 3-(3,4,5-trifluoroanilino)propanamide?
3-(3,4,5-trifluoroanilino)propanamide has a molecular weight of 218.18 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trifluoroanilino)propanamide is sourced from PubChem (CID 62810096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).