N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-cyanoacetamide

C11H10ClFN2O — CID 115173289

IUPACN-[2-(3-chloro-4-fluorophenyl)ethyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H10ClFN2O/c12-9-7-8(1-2-10(9)13)4-6-15-11(16)3-5-14/h1-2,7H,3-4,6H2,(H,15,16)
InChIKeyYYYMLGVCAUAARZ-UHFFFAOYSA-N
MW240.66 g/mol
LogP2.05
Rot. Bonds4

About N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-cyanoacetamide

N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-cyanoacetamide (PubChem CID 115173289) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-fluorophenyl)ethyl]-2-cyanoacetamide
PubChem CID115173289
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC NameN-[2-(3-chloro-4-fluorophenyl)ethyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H10ClFN2O/c12-9-7-8(1-2-10(9)13)4-6-15-11(16)3-5-14/h1-2,7H,3-4,6H2,(H,15,16)
InChIKeyYYYMLGVCAUAARZ-UHFFFAOYSA-N
XLogP2.05
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-methylpropanamide
CID 110790499
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide
CID 110790515
2,4-dichloro-N-[2-[(2-cyanoacetyl)amino]ethyl]benzamide
CID 108570422
3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide
CID 121177198
1-[2-(3-chloro-4-fluorophenyl)ethylamino]propan-2-one
CID 115235038
2,5-dichloro-N-[3-[(2-cyanoacetyl)amino]propyl]benzamide
CID 108924318
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-cyanoacetamide
CID 115173251
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide
CID 20991177
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-cyanoacetamide
CID 108537322
N-[2-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 22686252
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140036

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-cyanoacetamide?
The IUPAC name of N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-cyanoacetamide (CID 115173289) is N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-cyanoacetamide.
What is the SMILES notation for N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-cyanoacetamide?
The canonical SMILES for N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-cyanoacetamide is N#CCC(=O)NCCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-cyanoacetamide?
The InChIKey is YYYMLGVCAUAARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c12-9-7-8(1-2-10(9)13)4-6-15-11(16)3-5-14/h1-2,7H,3-4,6H2,(H,15,16).
What are the key properties of N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-cyanoacetamide?
N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-cyanoacetamide has a molecular weight of 240.66 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-cyanoacetamide is sourced from PubChem (CID 115173289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).