3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide

C16H15F3N2O — CID 109034329

IUPAC3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCc1cccc(NCCC(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C16H15F3N2O/c1-10-3-2-4-11(9-10)20-8-7-14(22)21-13-6-5-12(17)15(18)16(13)19/h2-6,9,20H,7-8H2,1H3,(H,21,22)
InChIKeySAYJLCWIRFAFCO-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.85
Rot. Bonds5

About 3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide

3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 109034329) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID109034329
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCc1cccc(NCCC(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C16H15F3N2O/c1-10-3-2-4-11(9-10)20-8-7-14(22)21-13-6-5-12(17)15(18)16(13)19/h2-6,9,20H,7-8H2,1H3,(H,21,22)
InChIKeySAYJLCWIRFAFCO-UHFFFAOYSA-N
XLogP3.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.85
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-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109041136
3-(3-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033964
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide
CID 109034313
N-(2-bromophenyl)-3-(3-methylanilino)propanamide
CID 109034300
N-phenyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109033887
3-(4-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109034139
2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide
CID 18155036
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
N-(3-methylphenyl)-2-(2,3,4-trifluorophenyl)acetamide
CID 110487504
N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109038175
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide
CID 109034321

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide (CID 109034329) is 3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide is Cc1cccc(NCCC(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is SAYJLCWIRFAFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-10-3-2-4-11(9-10)20-8-7-14(22)21-13-6-5-12(17)15(18)16(13)19/h2-6,9,20H,7-8H2,1H3,(H,21,22).
What are the key properties of 3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 308.30 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 109034329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).