2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide

C11H13ClFNO2 — CID 115161900

IUPAC2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide
SMILESCCOc1ccc(N(C)C(=O)CCl)cc1F
InChIInChI=1S/C11H13ClFNO2/c1-3-16-10-5-4-8(6-9(10)13)14(2)11(15)7-12/h4-6H,3,7H2,1-2H3
InChIKeyJTNFLTIEMZSFDT-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.43
Rot. Bonds4

About 2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide

2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide (PubChem CID 115161900) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide
PubChem CID115161900
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide
SMILESCCOc1ccc(N(C)C(=O)CCl)cc1F
InChIInChI=1S/C11H13ClFNO2/c1-3-16-10-5-4-8(6-9(10)13)14(2)11(15)7-12/h4-6H,3,7H2,1-2H3
InChIKeyJTNFLTIEMZSFDT-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylpropanamide
CID 115162416
4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide
CID 115155974
4-(4-ethoxy-3-fluoro-N-methylanilino)butanoic acid
CID 115218534
N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166060
2-chloro-N-(4-chlorophenyl)-N-methylacetamide
CID 12603569
4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol
CID 115149430
ethyl 2-[2-fluoro-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]acetate
CID 69220603
4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide
CID 116847967
3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide
CID 115154887
N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide
CID 82093740
2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 139020691
2-amino-2-(4-ethoxy-3-fluorophenyl)-N,N-dimethylacetamide
CID 116850116

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide?
The IUPAC name of 2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide (CID 115161900) is 2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide is CCOc1ccc(N(C)C(=O)CCl)cc1F.
What is the InChIKey of 2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide?
The InChIKey is JTNFLTIEMZSFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-3-16-10-5-4-8(6-9(10)13)14(2)11(15)7-12/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide?
2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide has a molecular weight of 245.68 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 115161900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).