1-[2-[3-chloro-2-(2,2-difluoroethylsulfanyl)anilino]acetyl]imidazolidin-2-one

C13H14ClF2N3O2S — CID 122141138

IUPAC1-[2-[3-chloro-2-(2,2-difluoroethylsulfanyl)anilino]acetyl]imidazolidin-2-one
SMILESO=C(CNc1cccc(Cl)c1SCC(F)F)N1CCNC1=O
InChIInChI=1S/C13H14ClF2N3O2S/c14-8-2-1-3-9(12(8)22-7-10(15)16)18-6-11(20)19-5-4-17-13(19)21/h1-3,10,18H,4-7H2,(H,17,21)
InChIKeyMLGUBPMYHFGNIZ-UHFFFAOYSA-N
MW349.79 g/mol
LogP2.66
Rot. Bonds6

About 1-[2-[3-chloro-2-(2,2-difluoroethylsulfanyl)anilino]acetyl]imidazolidin-2-one

1-[2-[3-chloro-2-(2,2-difluoroethylsulfanyl)anilino]acetyl]imidazolidin-2-one (PubChem CID 122141138) has the molecular formula C13H14ClF2N3O2S and a molecular weight of 349.79 g/mol. Its IUPAC name is 1-[2-[3-chloro-2-(2,2-difluoroethylsulfanyl)anilino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-chloro-2-(2,2-difluoroethylsulfanyl)anilino]acetyl]imidazolidin-2-one
PubChem CID122141138
Molecular FormulaC13H14ClF2N3O2S
Molecular Weight349.79 g/mol
Exact Mass349.05
IUPAC Name1-[2-[3-chloro-2-(2,2-difluoroethylsulfanyl)anilino]acetyl]imidazolidin-2-one
SMILESO=C(CNc1cccc(Cl)c1SCC(F)F)N1CCNC1=O
InChIInChI=1S/C13H14ClF2N3O2S/c14-8-2-1-3-9(12(8)22-7-10(15)16)18-6-11(20)19-5-4-17-13(19)21/h1-3,10,18H,4-7H2,(H,17,21)
InChIKeyMLGUBPMYHFGNIZ-UHFFFAOYSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-(methylamino)acetamide
CID 119795086
1-[2-(4-bromo-2-fluoroanilino)acetyl]imidazolidin-2-one
CID 17457429
3-amino-N-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-methylbutanamide
CID 120501239
1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one
CID 9307678
1-[2-[2-(2,4-difluoroanilino)anilino]acetyl]imidazolidin-2-one
CID 75448645
2-[[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976292
4-[2-(5-chloro-2-methoxyanilino)acetyl]piperazin-2-one
CID 32895414
1-[2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)amino]acetyl]imidazolidin-2-one
CID 138020739
1-[2-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]acetyl]imidazolidin-2-one
CID 34082442
1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one
CID 155945598
1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one
CID 134008026
1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one
CID 94217685

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-chloro-2-(2,2-difluoroethylsulfanyl)anilino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[3-chloro-2-(2,2-difluoroethylsulfanyl)anilino]acetyl]imidazolidin-2-one (CID 122141138) is 1-[2-[3-chloro-2-(2,2-difluoroethylsulfanyl)anilino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[3-chloro-2-(2,2-difluoroethylsulfanyl)anilino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[3-chloro-2-(2,2-difluoroethylsulfanyl)anilino]acetyl]imidazolidin-2-one is O=C(CNc1cccc(Cl)c1SCC(F)F)N1CCNC1=O.
What is the InChIKey of 1-[2-[3-chloro-2-(2,2-difluoroethylsulfanyl)anilino]acetyl]imidazolidin-2-one?
The InChIKey is MLGUBPMYHFGNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2N3O2S/c14-8-2-1-3-9(12(8)22-7-10(15)16)18-6-11(20)19-5-4-17-13(19)21/h1-3,10,18H,4-7H2,(H,17,21).
What are the key properties of 1-[2-[3-chloro-2-(2,2-difluoroethylsulfanyl)anilino]acetyl]imidazolidin-2-one?
1-[2-[3-chloro-2-(2,2-difluoroethylsulfanyl)anilino]acetyl]imidazolidin-2-one has a molecular weight of 349.79 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-chloro-2-(2,2-difluoroethylsulfanyl)anilino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 122141138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).