2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

C18H19F2N3O2 — CID 24562343

IUPAC2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CNc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C18H19F2N3O2/c1-12-3-5-15(6-4-12)22-17(24)11-23(2)18(25)10-21-16-8-13(19)7-14(20)9-16/h3-9,21H,10-11H2,1-2H3,(H,22,24)
InChIKeyMOOLNNVPJLOSCD-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.78
Rot. Bonds6

About 2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (PubChem CID 24562343) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
PubChem CID24562343
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CNc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C18H19F2N3O2/c1-12-3-5-15(6-4-12)22-17(24)11-23(2)18(25)10-21-16-8-13(19)7-14(20)9-16/h3-9,21H,10-11H2,1-2H3,(H,22,24)
InChIKeyMOOLNNVPJLOSCD-UHFFFAOYSA-N
XLogP2.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate
CID 24614987
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 56512821
2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 9494412
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-propan-2-ylanilino)acetamide
CID 24583329
2-(3-cyanoanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 26509872
2-(2-methoxyethylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 119677951
2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 119772007
N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide
CID 7467659
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide
CID 24616694
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729092
2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride
CID 119772006

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (CID 24562343) is 2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is Cc1ccc(NC(=O)CN(C)C(=O)CNc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is MOOLNNVPJLOSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-12-3-5-15(6-4-12)22-17(24)11-23(2)18(25)10-21-16-8-13(19)7-14(20)9-16/h3-9,21H,10-11H2,1-2H3,(H,22,24).
What are the key properties of 2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 347.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 24562343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).