2-(2,3-difluorophenyl)-N-[4-(dimethylamino)-2,6-dimethylphenyl]acetamide

C18H20F2N2O — CID 167794826

IUPAC2-(2,3-difluorophenyl)-N-[4-(dimethylamino)-2,6-dimethylphenyl]acetamide
SMILESCc1cc(N(C)C)cc(C)c1NC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C18H20F2N2O/c1-11-8-14(22(3)4)9-12(2)18(11)21-16(23)10-13-6-5-7-15(19)17(13)20/h5-9H,10H2,1-4H3,(H,21,23)
InChIKeyVYGNMHITZBKLAC-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.83
Rot. Bonds4

About 2-(2,3-difluorophenyl)-N-[4-(dimethylamino)-2,6-dimethylphenyl]acetamide

2-(2,3-difluorophenyl)-N-[4-(dimethylamino)-2,6-dimethylphenyl]acetamide (PubChem CID 167794826) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-[4-(dimethylamino)-2,6-dimethylphenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-[4-(dimethylamino)-2,6-dimethylphenyl]acetamide
PubChem CID167794826
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name2-(2,3-difluorophenyl)-N-[4-(dimethylamino)-2,6-dimethylphenyl]acetamide
SMILESCc1cc(N(C)C)cc(C)c1NC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C18H20F2N2O/c1-11-8-14(22(3)4)9-12(2)18(11)21-16(23)10-13-6-5-7-15(19)17(13)20/h5-9H,10H2,1-4H3,(H,21,23)
InChIKeyVYGNMHITZBKLAC-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-N-(2,6-dimethylphenyl)acetamide
CID 110488922
2-(2,3-difluorophenyl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 84586354
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-(2-fluorophenyl)acetamide
CID 122356290
2-(2,3-difluorophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107735720
N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide
CID 114308202
N-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 60795091
2-(2,3-difluorophenyl)-N-[2-(3,3,3-trifluoropropyl)phenyl]acetamide
CID 122143183
2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115687726
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113162238
2-(2,3-difluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 62622276
N-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide
CID 82862460
N-(3-methylphenyl)-2-(2,3,4-trifluorophenyl)acetamide
CID 110487504

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-[4-(dimethylamino)-2,6-dimethylphenyl]acetamide?
The IUPAC name of 2-(2,3-difluorophenyl)-N-[4-(dimethylamino)-2,6-dimethylphenyl]acetamide (CID 167794826) is 2-(2,3-difluorophenyl)-N-[4-(dimethylamino)-2,6-dimethylphenyl]acetamide.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-[4-(dimethylamino)-2,6-dimethylphenyl]acetamide?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-[4-(dimethylamino)-2,6-dimethylphenyl]acetamide is Cc1cc(N(C)C)cc(C)c1NC(=O)Cc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-[4-(dimethylamino)-2,6-dimethylphenyl]acetamide?
The InChIKey is VYGNMHITZBKLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-11-8-14(22(3)4)9-12(2)18(11)21-16(23)10-13-6-5-7-15(19)17(13)20/h5-9H,10H2,1-4H3,(H,21,23).
What are the key properties of 2-(2,3-difluorophenyl)-N-[4-(dimethylamino)-2,6-dimethylphenyl]acetamide?
2-(2,3-difluorophenyl)-N-[4-(dimethylamino)-2,6-dimethylphenyl]acetamide has a molecular weight of 318.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-[4-(dimethylamino)-2,6-dimethylphenyl]acetamide is sourced from PubChem (CID 167794826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).