N-(4-chlorophenyl)-2-cyano-3-ethoxypent-2-enamide

C14H15ClN2O2 — CID 5109111

IUPACN-(4-chlorophenyl)-2-cyano-3-ethoxypent-2-enamide
SMILESCCOC(CC)=C(C#N)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c1-3-13(19-4-2)12(9-16)14(18)17-11-7-5-10(15)6-8-11/h5-8H,3-4H2,1-2H3,(H,17,18)
InChIKeyNEOMIAGFNLOSFJ-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.50
Rot. Bonds5

About N-(4-chlorophenyl)-2-cyano-3-ethoxypent-2-enamide

N-(4-chlorophenyl)-2-cyano-3-ethoxypent-2-enamide (PubChem CID 5109111) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-cyano-3-ethoxypent-2-enamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-cyano-3-ethoxypent-2-enamide
PubChem CID5109111
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC NameN-(4-chlorophenyl)-2-cyano-3-ethoxypent-2-enamide
SMILESCCOC(CC)=C(C#N)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c1-3-13(19-4-2)12(9-16)14(18)17-11-7-5-10(15)6-8-11/h5-8H,3-4H2,1-2H3,(H,17,18)
InChIKeyNEOMIAGFNLOSFJ-UHFFFAOYSA-N
XLogP3.50
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide
CID 140862093
N-(4-chlorophenyl)-2-cyano-3-methylpent-2-enamide
CID 4661901
ethyl (Z)-3-(4-chloroanilino)-2-cyanobut-2-enoate
CID 13074372
N-(4-chlorophenyl)-2-cyano-3,3-bis(sulfanyl)prop-2-enamide
CID 11197815
ethyl 4-[[2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetyl]amino]benzoate
CID 155490539
ethyl (E)-3-[4-(4-chlorophenoxy)anilino]-2-cyano-3-methylsulfanylprop-2-enoate
CID 10834180
(E)-2-cyano-3-ethoxy-3-hydroxy-N-(4-methoxyphenyl)prop-2-enamide
CID 6022139
ethyl 4-[(3-anilino-2-cyano-3-methylsulfanylprop-2-enoyl)amino]benzoate
CID 155804067
(Z)-3-amino-3-(4-chloroanilino)-2-cyanoprop-2-enamide
CID 70560556
(E)-2-(4-chlorophenyl)sulfonyl-3-ethoxypent-2-enenitrile
CID 15414713
N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide
CID 3839251
ethyl 3-(4-chlorophenyl)-2-cyano-3-hydroxyprop-2-enoate
CID 54746652

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-cyano-3-ethoxypent-2-enamide?
The IUPAC name of N-(4-chlorophenyl)-2-cyano-3-ethoxypent-2-enamide (CID 5109111) is N-(4-chlorophenyl)-2-cyano-3-ethoxypent-2-enamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-cyano-3-ethoxypent-2-enamide?
The canonical SMILES for N-(4-chlorophenyl)-2-cyano-3-ethoxypent-2-enamide is CCOC(CC)=C(C#N)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-cyano-3-ethoxypent-2-enamide?
The InChIKey is NEOMIAGFNLOSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-3-13(19-4-2)12(9-16)14(18)17-11-7-5-10(15)6-8-11/h5-8H,3-4H2,1-2H3,(H,17,18).
What are the key properties of N-(4-chlorophenyl)-2-cyano-3-ethoxypent-2-enamide?
N-(4-chlorophenyl)-2-cyano-3-ethoxypent-2-enamide has a molecular weight of 278.74 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-cyano-3-ethoxypent-2-enamide is sourced from PubChem (CID 5109111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).