N-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-(methylamino)acetamide

C11H13ClF2N2OS — CID 119795086

IUPACN-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cccc(Cl)c1SCC(F)F
InChIInChI=1S/C11H13ClF2N2OS/c1-15-5-10(17)16-8-4-2-3-7(12)11(8)18-6-9(13)14/h2-4,9,15H,5-6H2,1H3,(H,16,17)
InChIKeyBICGQEIMZQRZPI-UHFFFAOYSA-N
MW294.75 g/mol
LogP2.86
Rot. Bonds6

About N-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-(methylamino)acetamide

N-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-(methylamino)acetamide (PubChem CID 119795086) has the molecular formula C11H13ClF2N2OS and a molecular weight of 294.75 g/mol. Its IUPAC name is N-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-(methylamino)acetamide
PubChem CID119795086
Molecular FormulaC11H13ClF2N2OS
Molecular Weight294.75 g/mol
Exact Mass294.04
IUPAC NameN-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cccc(Cl)c1SCC(F)F
InChIInChI=1S/C11H13ClF2N2OS/c1-15-5-10(17)16-8-4-2-3-7(12)11(8)18-6-9(13)14/h2-4,9,15H,5-6H2,1H3,(H,16,17)
InChIKeyBICGQEIMZQRZPI-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-(methylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-methylbutanamide
CID 120501239
2-[[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976292
4-[[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122085114
N-(3-chloro-2-propan-2-ylsulfanylphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119707338
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide
CID 43232974
2-(2-amino-6-chlorophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43304715
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide
CID 43699248
3-[3-(3-chloro-2-methylanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-2-methylphenyl)propanamide
CID 2168392
2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride
CID 119797995
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(2-chloro-5-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119705341

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-(methylamino)acetamide?
The IUPAC name of N-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-(methylamino)acetamide (CID 119795086) is N-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-(methylamino)acetamide is CNCC(=O)Nc1cccc(Cl)c1SCC(F)F.
What is the InChIKey of N-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-(methylamino)acetamide?
The InChIKey is BICGQEIMZQRZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2OS/c1-15-5-10(17)16-8-4-2-3-7(12)11(8)18-6-9(13)14/h2-4,9,15H,5-6H2,1H3,(H,16,17).
What are the key properties of N-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-(methylamino)acetamide?
N-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-(methylamino)acetamide has a molecular weight of 294.75 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-(methylamino)acetamide is sourced from PubChem (CID 119795086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).