3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide

C20H22F2N2O2 — CID 55996807

IUPAC3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)CCc2cc(F)ccc2F)c1C
InChIInChI=1S/C20H22F2N2O2/c1-13-5-4-6-18(14(13)2)23-19(25)12-24(3)20(26)10-7-15-11-16(21)8-9-17(15)22/h4-6,8-9,11H,7,10,12H2,1-3H3,(H,23,25)
InChIKeyHEIXQNVWSQLSGK-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.61
Rot. Bonds6

About 3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide

3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 55996807) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID55996807
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)CCc2cc(F)ccc2F)c1C
InChIInChI=1S/C20H22F2N2O2/c1-13-5-4-6-18(14(13)2)23-19(25)12-24(3)20(26)10-7-15-11-16(21)8-9-17(15)22/h4-6,8-9,11H,7,10,12H2,1-3H3,(H,23,25)
InChIKeyHEIXQNVWSQLSGK-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 8503634
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide
CID 51276851
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
4-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119268380
2-[3-(2,5-difluorophenyl)propanoyl-methylamino]acetic acid
CID 119171811
4-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]benzoic acid
CID 119181081
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
CID 9427990
N-[2-(2-ethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
CID 51181026
2-(2,5-difluoroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 42069511
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 27807987
5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide
CID 55757962
N-(4-chloro-2-fluorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287978

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide (CID 55996807) is 3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide is Cc1cccc(NC(=O)CN(C)C(=O)CCc2cc(F)ccc2F)c1C.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is HEIXQNVWSQLSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-13-5-4-6-18(14(13)2)23-19(25)12-24(3)20(26)10-7-15-11-16(21)8-9-17(15)22/h4-6,8-9,11H,7,10,12H2,1-3H3,(H,23,25).
What are the key properties of 3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide?
3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 360.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 55996807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).