2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide

C11H14ClFN2O — CID 43309689

IUPAC2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1cccc(Cl)c1F
InChIInChI=1S/C11H14ClFN2O/c1-3-15(2)10(16)7-14-9-6-4-5-8(12)11(9)13/h4-6,14H,3,7H2,1-2H3
InChIKeyBCKWYITYNZPDAQ-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.37
Rot. Bonds4

About 2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide

2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide (PubChem CID 43309689) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide
PubChem CID43309689
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1cccc(Cl)c1F
InChIInChI=1S/C11H14ClFN2O/c1-3-15(2)10(16)7-14-9-6-4-5-8(12)11(9)13/h4-6,14H,3,7H2,1-2H3
InChIKeyBCKWYITYNZPDAQ-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide
CID 28879721
2-(3-chloro-2-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43408733
4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 51254446
3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline
CID 106437425
2-(3-chloro-2-fluoroanilino)-N-phenylacetamide
CID 42070736
N-ethyl-2-(4-fluoroanilino)-N-methylacetamide
CID 43309636
2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 134063159
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid
CID 43135927
2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 43309591
2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 33164412
3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline
CID 43387895

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide (CID 43309689) is 2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNc1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide?
The InChIKey is BCKWYITYNZPDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-3-15(2)10(16)7-14-9-6-4-5-8(12)11(9)13/h4-6,14H,3,7H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide?
2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide has a molecular weight of 244.70 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 43309689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).