N-[C-(2-chloro-5-ethylphenyl)-N-[1-(3-ethyl-4-fluorophenyl)ethenyl]carbonimidoyl]acetamide

C21H22ClFN2O — CID 138483366

IUPACN-[C-(2-chloro-5-ethylphenyl)-N-[1-(3-ethyl-4-fluorophenyl)ethenyl]carbonimidoyl]acetamide
SMILESC=C(/N=C(\NC(C)=O)c1cc(CC)ccc1Cl)c1ccc(F)c(CC)c1
InChIInChI=1S/C21H22ClFN2O/c1-5-15-7-9-19(22)18(11-15)21(25-14(4)26)24-13(3)17-8-10-20(23)16(6-2)12-17/h7-12H,3,5-6H2,1-2,4H3,(H,24,25,26)
InChIKeyDHGOYNFLRZQEAJ-UHFFFAOYSA-N
MW372.87 g/mol
LogP5.16
Rot. Bonds5

About N-[C-(2-chloro-5-ethylphenyl)-N-[1-(3-ethyl-4-fluorophenyl)ethenyl]carbonimidoyl]acetamide

N-[C-(2-chloro-5-ethylphenyl)-N-[1-(3-ethyl-4-fluorophenyl)ethenyl]carbonimidoyl]acetamide (PubChem CID 138483366) has the molecular formula C21H22ClFN2O and a molecular weight of 372.87 g/mol. Its IUPAC name is N-[C-(2-chloro-5-ethylphenyl)-N-[1-(3-ethyl-4-fluorophenyl)ethenyl]carbonimidoyl]acetamide.

Molecular Properties

Compound NameN-[C-(2-chloro-5-ethylphenyl)-N-[1-(3-ethyl-4-fluorophenyl)ethenyl]carbonimidoyl]acetamide
PubChem CID138483366
Molecular FormulaC21H22ClFN2O
Molecular Weight372.87 g/mol
Exact Mass372.14
IUPAC NameN-[C-(2-chloro-5-ethylphenyl)-N-[1-(3-ethyl-4-fluorophenyl)ethenyl]carbonimidoyl]acetamide
SMILESC=C(/N=C(\NC(C)=O)c1cc(CC)ccc1Cl)c1ccc(F)c(CC)c1
InChIInChI=1S/C21H22ClFN2O/c1-5-15-7-9-19(22)18(11-15)21(25-14(4)26)24-13(3)17-8-10-20(23)16(6-2)12-17/h7-12H,3,5-6H2,1-2,4H3,(H,24,25,26)
InChIKeyDHGOYNFLRZQEAJ-UHFFFAOYSA-N
XLogP5.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.87
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[C-(2-chloro-5-ethylphenyl)-N-[1-(3-ethyl-4-fluorophenyl)ethenyl]carbonimidoyl]acetamide?
The IUPAC name of N-[C-(2-chloro-5-ethylphenyl)-N-[1-(3-ethyl-4-fluorophenyl)ethenyl]carbonimidoyl]acetamide (CID 138483366) is N-[C-(2-chloro-5-ethylphenyl)-N-[1-(3-ethyl-4-fluorophenyl)ethenyl]carbonimidoyl]acetamide.
What is the SMILES notation for N-[C-(2-chloro-5-ethylphenyl)-N-[1-(3-ethyl-4-fluorophenyl)ethenyl]carbonimidoyl]acetamide?
The canonical SMILES for N-[C-(2-chloro-5-ethylphenyl)-N-[1-(3-ethyl-4-fluorophenyl)ethenyl]carbonimidoyl]acetamide is C=C(/N=C(\NC(C)=O)c1cc(CC)ccc1Cl)c1ccc(F)c(CC)c1.
What is the InChIKey of N-[C-(2-chloro-5-ethylphenyl)-N-[1-(3-ethyl-4-fluorophenyl)ethenyl]carbonimidoyl]acetamide?
The InChIKey is DHGOYNFLRZQEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O/c1-5-15-7-9-19(22)18(11-15)21(25-14(4)26)24-13(3)17-8-10-20(23)16(6-2)12-17/h7-12H,3,5-6H2,1-2,4H3,(H,24,25,26).
What are the key properties of N-[C-(2-chloro-5-ethylphenyl)-N-[1-(3-ethyl-4-fluorophenyl)ethenyl]carbonimidoyl]acetamide?
N-[C-(2-chloro-5-ethylphenyl)-N-[1-(3-ethyl-4-fluorophenyl)ethenyl]carbonimidoyl]acetamide has a molecular weight of 372.87 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[C-(2-chloro-5-ethylphenyl)-N-[1-(3-ethyl-4-fluorophenyl)ethenyl]carbonimidoyl]acetamide is sourced from PubChem (CID 138483366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).