N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide

C18H16ClN3O2 — CID 124890840

IUPACN-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide
SMILESC/C(=N/NC(=O)CC#N)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClN3O2/c1-13(21-22-18(23)10-11-20)15-4-8-17(9-5-15)24-12-14-2-6-16(19)7-3-14/h2-9H,10,12H2,1H3,(H,22,23)/b21-13-
InChIKeyNRAZHSVIFUHKJP-BKUYFWCQSA-N
MW341.80 g/mol
LogP3.67
Rot. Bonds6

About N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide

N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide (PubChem CID 124890840) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide
PubChem CID124890840
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide
SMILESC/C(=N/NC(=O)CC#N)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClN3O2/c1-13(21-22-18(23)10-11-20)15-4-8-17(9-5-15)24-12-14-2-6-16(19)7-3-14/h2-9H,10,12H2,1H3,(H,22,23)/b21-13-
InChIKeyNRAZHSVIFUHKJP-BKUYFWCQSA-N
XLogP3.67
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide
CID 91972462
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786
2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide
CID 5171584
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
N-[(E)-1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]ethylideneamino]-2-cyanoacetamide
CID 127048849
2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide
CID 8022911
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 9316462
2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide
CID 6062096
2-cyano-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 92664451
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169613
4-[(4-chlorophenoxy)methyl]-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
CID 9408975

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide?
The IUPAC name of N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide (CID 124890840) is N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide.
What is the SMILES notation for N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide?
The canonical SMILES for N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide is C/C(=N/NC(=O)CC#N)c1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide?
The InChIKey is NRAZHSVIFUHKJP-BKUYFWCQSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-13(21-22-18(23)10-11-20)15-4-8-17(9-5-15)24-12-14-2-6-16(19)7-3-14/h2-9H,10,12H2,1H3,(H,22,23)/b21-13-.
What are the key properties of N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide?
N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide has a molecular weight of 341.80 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide is sourced from PubChem (CID 124890840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).