2-chloro-N-ethyl-2-fluoro-N-(2-methylsulfonylethyl)acetamide

C7H13ClFNO3S — CID 166334679

IUPAC2-chloro-N-ethyl-2-fluoro-N-(2-methylsulfonylethyl)acetamide
SMILESCCN(CCS(C)(=O)=O)C(=O)C(F)Cl
InChIInChI=1S/C7H13ClFNO3S/c1-3-10(7(11)6(8)9)4-5-14(2,12)13/h6H,3-5H2,1-2H3
InChIKeyQKIGVNNRDRBZSW-UHFFFAOYSA-N
MW245.70 g/mol
LogP0.41
Rot. Bonds5

About 2-chloro-N-ethyl-2-fluoro-N-(2-methylsulfonylethyl)acetamide

2-chloro-N-ethyl-2-fluoro-N-(2-methylsulfonylethyl)acetamide (PubChem CID 166334679) has the molecular formula C7H13ClFNO3S and a molecular weight of 245.70 g/mol. Its IUPAC name is 2-chloro-N-ethyl-2-fluoro-N-(2-methylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-2-fluoro-N-(2-methylsulfonylethyl)acetamide
PubChem CID166334679
Molecular FormulaC7H13ClFNO3S
Molecular Weight245.70 g/mol
Exact Mass245.03
IUPAC Name2-chloro-N-ethyl-2-fluoro-N-(2-methylsulfonylethyl)acetamide
SMILESCCN(CCS(C)(=O)=O)C(=O)C(F)Cl
InChIInChI=1S/C7H13ClFNO3S/c1-3-10(7(11)6(8)9)4-5-14(2,12)13/h6H,3-5H2,1-2H3
InChIKeyQKIGVNNRDRBZSW-UHFFFAOYSA-N
XLogP0.41
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide
CID 63690929
N,N-diethyl-2-methylsulfonylethanamine
CID 11435289
2,2-dichloro-N,N-diethylacetamide
CID 141409453
N-ethyl-N-(2-methylsulfonylethyl)heptan-4-amine
CID 155420092
methyl 3-[(2-chloro-2-fluoroacetyl)-(2-methylpropyl)amino]propanoate
CID 166334711
2-chloro-N-ethyl-2-fluoro-N-[(3-methylfuran-2-yl)methyl]acetamide
CID 167984402
N-(2-chloroethyl)-N-ethyl-2-methylpropanamide
CID 63395001
(2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide
CID 107570108
ethyl 2-[2-methylsulfonylethyl-(2,2,2-trifluoroacetyl)amino]acetate
CID 22609755
2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid
CID 61021269
3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide
CID 158689027
2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]propanamide
CID 79864342

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-2-fluoro-N-(2-methylsulfonylethyl)acetamide?
The IUPAC name of 2-chloro-N-ethyl-2-fluoro-N-(2-methylsulfonylethyl)acetamide (CID 166334679) is 2-chloro-N-ethyl-2-fluoro-N-(2-methylsulfonylethyl)acetamide.
What is the SMILES notation for 2-chloro-N-ethyl-2-fluoro-N-(2-methylsulfonylethyl)acetamide?
The canonical SMILES for 2-chloro-N-ethyl-2-fluoro-N-(2-methylsulfonylethyl)acetamide is CCN(CCS(C)(=O)=O)C(=O)C(F)Cl.
What is the InChIKey of 2-chloro-N-ethyl-2-fluoro-N-(2-methylsulfonylethyl)acetamide?
The InChIKey is QKIGVNNRDRBZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClFNO3S/c1-3-10(7(11)6(8)9)4-5-14(2,12)13/h6H,3-5H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-2-fluoro-N-(2-methylsulfonylethyl)acetamide?
2-chloro-N-ethyl-2-fluoro-N-(2-methylsulfonylethyl)acetamide has a molecular weight of 245.70 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-2-fluoro-N-(2-methylsulfonylethyl)acetamide is sourced from PubChem (CID 166334679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).