N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethoxy)acetamide

C12H15ClFNO3 — CID 110482951

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NCc1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNO3/c1-17-4-5-18-8-12(16)15-7-9-2-3-10(13)6-11(9)14/h2-3,6H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyOULKABNCXJWKJZ-UHFFFAOYSA-N
MW275.71 g/mol
LogP1.76
Rot. Bonds7

About N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethoxy)acetamide

N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethoxy)acetamide (PubChem CID 110482951) has the molecular formula C12H15ClFNO3 and a molecular weight of 275.71 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethoxy)acetamide
PubChem CID110482951
Molecular FormulaC12H15ClFNO3
Molecular Weight275.71 g/mol
Exact Mass275.07
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NCc1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNO3/c1-17-4-5-18-8-12(16)15-7-9-2-3-10(13)6-11(9)14/h2-3,6H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyOULKABNCXJWKJZ-UHFFFAOYSA-N
XLogP1.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-chloro-2-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 110482879
N-[(4-chloro-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 166226019
2-(2-chloro-4-fluorophenyl)-N-[(4-chloro-2-fluorophenyl)methyl]acetamide
CID 166226023
1-(4-chloro-2-fluorophenyl)-4-methoxybutan-2-one
CID 114853710
N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide
CID 56920126
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide
CID 103606661
2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 67968197
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 103747121
methyl 3-(4-chloro-2-fluorophenyl)propanoate
CID 91755213
3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide
CID 110480436
2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 100536807
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide
CID 78808707

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethoxy)acetamide (CID 110482951) is N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NCc1ccc(Cl)cc1F.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is OULKABNCXJWKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3/c1-17-4-5-18-8-12(16)15-7-9-2-3-10(13)6-11(9)14/h2-3,6H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethoxy)acetamide?
N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 275.71 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 110482951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).