2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide

C17H19FN2O — CID 51225001

IUPAC2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCc1cc(C)cc(NCC(=O)NCc2ccccc2F)c1
InChIInChI=1S/C17H19FN2O/c1-12-7-13(2)9-15(8-12)19-11-17(21)20-10-14-5-3-4-6-16(14)18/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyJJXPMMFUHDFCPS-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.17
Rot. Bonds5

About 2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide

2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 51225001) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID51225001
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCc1cc(C)cc(NCC(=O)NCc2ccccc2F)c1
InChIInChI=1S/C17H19FN2O/c1-12-7-13(2)9-15(8-12)19-11-17(21)20-10-14-5-3-4-6-16(14)18/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyJJXPMMFUHDFCPS-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoroanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31665741
2-(5-fluoro-2-methylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31667661
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 26887091
N-[(2-fluorophenyl)methyl]-2-[(4-methylphenyl)methylamino]acetamide
CID 108997023
2-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997159
2-(2,6-dichloroanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 108997690
2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79789880
4-N-(3,5-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148377
2-(2-fluorophenyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992093
2-(3,5-dimethylanilino)-N-phenylacetamide
CID 7636819
2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31673267

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide (CID 51225001) is 2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide is Cc1cc(C)cc(NCC(=O)NCc2ccccc2F)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is JJXPMMFUHDFCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12-7-13(2)9-15(8-12)19-11-17(21)20-10-14-5-3-4-6-16(14)18/h3-9,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide?
2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 286.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 51225001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).