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

C17H17F3N2O3 — CID 78670468

IUPAC2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccc(F)c(F)c2F)cc1OC
InChIInChI=1S/C17H17F3N2O3/c1-9(21-10-4-7-13(24-2)14(8-10)25-3)17(23)22-12-6-5-11(18)15(19)16(12)20/h4-9,21H,1-3H3,(H,22,23)
InChIKeyUFCJQSAOGCJQPT-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.56
Rot. Bonds6

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

2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 78670468) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID78670468
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC Name2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccc(F)c(F)c2F)cc1OC
InChIInChI=1S/C17H17F3N2O3/c1-9(21-10-4-7-13(24-2)14(8-10)25-3)17(23)22-12-6-5-11(18)15(19)16(12)20/h4-9,21H,1-3H3,(H,22,23)
InChIKeyUFCJQSAOGCJQPT-UHFFFAOYSA-N
XLogP3.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 2474098
(2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 7928461
2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 4968842
N-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652325
2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 51113240
2-(1,3-benzodioxol-5-ylamino)-N-(2,3,4-trifluorophenyl)propanamide
CID 4780583
(2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 2471713
2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide
CID 114839350
N-(4-bromophenyl)-2-(3,4-dimethoxyanilino)propanamide
CID 78670435
N-(2,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 42941663
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide (CID 78670468) is 2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide is COc1ccc(NC(C)C(=O)Nc2ccc(F)c(F)c2F)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is UFCJQSAOGCJQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-9(21-10-4-7-13(24-2)14(8-10)25-3)17(23)22-12-6-5-11(18)15(19)16(12)20/h4-9,21H,1-3H3,(H,22,23).
What are the key properties of 2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide?
2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 354.33 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 78670468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).