N-[2-(2-chloro-3,5-difluorophenoxy)ethyl]acetamide

C10H10ClF2NO2 — CID 91962518

IUPACN-[2-(2-chloro-3,5-difluorophenoxy)ethyl]acetamide
SMILESCC(=O)NCCOc1cc(F)cc(F)c1Cl
InChIInChI=1S/C10H10ClF2NO2/c1-6(15)14-2-3-16-9-5-7(12)4-8(13)10(9)11/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeySRVSAAOGYPJWQA-UHFFFAOYSA-N
MW249.64 g/mol
LogP2.13
Rot. Bonds4

About N-[2-(2-chloro-3,5-difluorophenoxy)ethyl]acetamide

N-[2-(2-chloro-3,5-difluorophenoxy)ethyl]acetamide (PubChem CID 91962518) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is N-[2-(2-chloro-3,5-difluorophenoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-3,5-difluorophenoxy)ethyl]acetamide
PubChem CID91962518
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC NameN-[2-(2-chloro-3,5-difluorophenoxy)ethyl]acetamide
SMILESCC(=O)NCCOc1cc(F)cc(F)c1Cl
InChIInChI=1S/C10H10ClF2NO2/c1-6(15)14-2-3-16-9-5-7(12)4-8(13)10(9)11/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeySRVSAAOGYPJWQA-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide
CID 71171524
2-chloro-1,5-difluoro-3-(4-methoxybutoxy)benzene
CID 59339533
2-(2-acetamidoethoxy)-5-chlorobenzoic acid
CID 60676519
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522
N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide
CID 107529852
2-(3-acetamidopropoxy)-5-chlorobenzoic acid
CID 67057090
N-[2-(2-bromo-4-methylphenoxy)ethyl]acetamide
CID 3822965
1-[2-(2-chloro-3,5-difluorophenoxy)ethyl]-5-propan-2-ylpyrazole-4-carboxylic acid
CID 164549684
N-[2-(3,4-dichlorophenoxy)ethyl]acetamide
CID 51066305
N-[2-(2,4-difluorophenoxy)ethyl]propanamide
CID 113102310
N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide
CID 107529850
4-(2-acetamidoethoxy)-2-fluorobenzoic acid
CID 107675500

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-3,5-difluorophenoxy)ethyl]acetamide?
The IUPAC name of N-[2-(2-chloro-3,5-difluorophenoxy)ethyl]acetamide (CID 91962518) is N-[2-(2-chloro-3,5-difluorophenoxy)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-chloro-3,5-difluorophenoxy)ethyl]acetamide?
The canonical SMILES for N-[2-(2-chloro-3,5-difluorophenoxy)ethyl]acetamide is CC(=O)NCCOc1cc(F)cc(F)c1Cl.
What is the InChIKey of N-[2-(2-chloro-3,5-difluorophenoxy)ethyl]acetamide?
The InChIKey is SRVSAAOGYPJWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c1-6(15)14-2-3-16-9-5-7(12)4-8(13)10(9)11/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of N-[2-(2-chloro-3,5-difluorophenoxy)ethyl]acetamide?
N-[2-(2-chloro-3,5-difluorophenoxy)ethyl]acetamide has a molecular weight of 249.64 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-3,5-difluorophenoxy)ethyl]acetamide is sourced from PubChem (CID 91962518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).