N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide

C10H11ClF2N2O — CID 107529852

IUPACN-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C10H11ClF2N2O/c1-6(16)14-2-3-15-10-8(11)4-7(12)5-9(10)13/h4-5,15H,2-3H2,1H3,(H,14,16)
InChIKeyQOXFRMNUPXMBTE-UHFFFAOYSA-N
MW248.66 g/mol
LogP2.17
Rot. Bonds4

About N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide

N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide (PubChem CID 107529852) has the molecular formula C10H11ClF2N2O and a molecular weight of 248.66 g/mol. Its IUPAC name is N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide
PubChem CID107529852
Molecular FormulaC10H11ClF2N2O
Molecular Weight248.66 g/mol
Exact Mass248.05
IUPAC NameN-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C10H11ClF2N2O/c1-6(16)14-2-3-15-10-8(11)4-7(12)5-9(10)13/h4-5,15H,2-3H2,1H3,(H,14,16)
InChIKeyQOXFRMNUPXMBTE-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.66
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide
CID 107529850
N-[2-(4-amino-2,6-difluoroanilino)ethyl]acetamide
CID 61015513
2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline
CID 83081590
N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine
CID 130589041
6-(2-chloro-4,6-difluoroanilino)hexanoic acid
CID 83082133
4-(2-chloro-4,6-difluoroanilino)butan-1-ol
CID 83081105
2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline
CID 82889250
N-[2-(3,5-dichloroanilino)ethyl]acetamide
CID 82539545
3-(2-chloro-4,6-difluoroanilino)propanenitrile
CID 83081189
N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide
CID 83088283
1-butyl-3-(2-chloro-4,6-difluorophenyl)urea
CID 115871717
methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate
CID 83079052

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide?
The IUPAC name of N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide (CID 107529852) is N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide is CC(=O)NCCNc1c(F)cc(F)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide?
The InChIKey is QOXFRMNUPXMBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2O/c1-6(16)14-2-3-15-10-8(11)4-7(12)5-9(10)13/h4-5,15H,2-3H2,1H3,(H,14,16).
What are the key properties of N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide?
N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide has a molecular weight of 248.66 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide is sourced from PubChem (CID 107529852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).