2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide

C15H13F3N2O2 — CID 39447577

IUPAC2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C15H13F3N2O2/c1-22-10-4-2-9(3-5-10)19-8-13(21)20-12-7-6-11(16)14(17)15(12)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyUSVWQPVFLRTMJF-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.16
Rot. Bonds5

About 2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide

2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 39447577) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID39447577
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C15H13F3N2O2/c1-22-10-4-2-9(3-5-10)19-8-13(21)20-12-7-6-11(16)14(17)15(12)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyUSVWQPVFLRTMJF-UHFFFAOYSA-N
XLogP3.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

methyl 4-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]benzoate
CID 109010186
2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 29318046
2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 109011156
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 46633419
2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 109008882
(4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 8761097
(2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 7928461
N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide
CID 109009113
N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
CID 28585942
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009101
4-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9083988

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide (CID 39447577) is 2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide is COc1ccc(NCC(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is USVWQPVFLRTMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-22-10-4-2-9(3-5-10)19-8-13(21)20-12-7-6-11(16)14(17)15(12)18/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of 2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide?
2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 310.28 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 39447577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).