N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide

C15H20F2N2O2 — CID 86825234

IUPACN-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1F)CC1CCCCO1
InChIInChI=1S/C15H20F2N2O2/c1-19(9-12-4-2-3-7-21-12)10-15(20)18-14-6-5-11(16)8-13(14)17/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,18,20)
InChIKeyKVHQBPAACLNQMQ-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.40
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide

N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide (PubChem CID 86825234) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
PubChem CID86825234
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1F)CC1CCCCO1
InChIInChI=1S/C15H20F2N2O2/c1-19(9-12-4-2-3-7-21-12)10-15(20)18-14-6-5-11(16)8-13(14)17/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,18,20)
InChIKeyKVHQBPAACLNQMQ-UHFFFAOYSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
CID 9223762
N-(2-bromo-4-methylphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825232
N-(2,4-dimethoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825214
1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61432500
N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 61431738
1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432503
N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61444129
N-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825215
N-(3-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 78722797
2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 86825120
2-[cyclopentyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113148994
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253283

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide (CID 86825234) is N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide is CN(CC(=O)Nc1ccc(F)cc1F)CC1CCCCO1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide?
The InChIKey is KVHQBPAACLNQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-19(9-12-4-2-3-7-21-12)10-15(20)18-14-6-5-11(16)8-13(14)17/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,18,20).
What are the key properties of N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide?
N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide has a molecular weight of 298.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 86825234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).