(2Z)-2-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]-2-cyanoacetamide

C16H15ClN2O — CID 46935179

IUPAC(2Z)-2-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]-2-cyanoacetamide
SMILESN#C/C(C(N)=O)=C1\CCCC\C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O/c17-13-7-5-11(6-8-13)9-12-3-1-2-4-14(12)15(10-18)16(19)20/h5-9H,1-4H2,(H2,19,20)/b12-9+,15-14-
InChIKeyMJYMTWPPLYWAPI-GQDMKGGVSA-N
MW286.76 g/mol
LogP3.60
Rot. Bonds2

About (2Z)-2-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]-2-cyanoacetamide

(2Z)-2-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]-2-cyanoacetamide (PubChem CID 46935179) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is (2Z)-2-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]-2-cyanoacetamide.

Molecular Properties

Compound Name(2Z)-2-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]-2-cyanoacetamide
PubChem CID46935179
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name(2Z)-2-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]-2-cyanoacetamide
SMILESN#C/C(C(N)=O)=C1\CCCC\C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O/c17-13-7-5-11(6-8-13)9-12-3-1-2-4-14(12)15(10-18)16(19)20/h5-9H,1-4H2,(H2,19,20)/b12-9+,15-14-
InChIKeyMJYMTWPPLYWAPI-GQDMKGGVSA-N
XLogP3.60
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(4-chlorophenyl)methylidene]cyclohexan-1-one
CID 6450877
(2E)-2-[(4-chlorophenyl)methylidene]cyclooctan-1-one
CID 12682640
(8E)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-2H-cyclohepta[c]pyrazole-3-carboxamide
CID 59687159
(NZ)-N-[2-[(4-chlorophenyl)methylidene]cyclohexylidene]hydroxylamine
CID 5464792
[(Z)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino] cyclopropanecarboxylate
CID 6339504
(2E)-2,5-bis[(4-chlorophenyl)methylidene]cyclopentan-1-one
CID 694487
2,3-bis[(4-chlorophenyl)methylidene]cyclohexan-1-one
CID 164714423
2-[(4-chlorophenyl)methylidene]cycloheptane-1,3-dione
CID 86059583
(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide
CID 46859161
(4R,8E)-2-amino-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile
CID 1041850
(E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide
CID 780393
(E,3Z)-3-amino-3-[(3E)-3-[(4-chlorophenyl)methylidene]-2-iminocycloheptylidene]-N-[(1S)-1-phenylethyl]prop-1-ene-1-sulfinamide
CID 145479845

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]-2-cyanoacetamide?
The IUPAC name of (2Z)-2-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]-2-cyanoacetamide (CID 46935179) is (2Z)-2-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]-2-cyanoacetamide.
What is the SMILES notation for (2Z)-2-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]-2-cyanoacetamide?
The canonical SMILES for (2Z)-2-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]-2-cyanoacetamide is N#C/C(C(N)=O)=C1\CCCC\C1=C/c1ccc(Cl)cc1.
What is the InChIKey of (2Z)-2-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]-2-cyanoacetamide?
The InChIKey is MJYMTWPPLYWAPI-GQDMKGGVSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-13-7-5-11(6-8-13)9-12-3-1-2-4-14(12)15(10-18)16(19)20/h5-9H,1-4H2,(H2,19,20)/b12-9+,15-14-.
What are the key properties of (2Z)-2-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]-2-cyanoacetamide?
(2Z)-2-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]-2-cyanoacetamide has a molecular weight of 286.76 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]-2-cyanoacetamide is sourced from PubChem (CID 46935179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).