N-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide

C18H19ClN2O3 — CID 833853

IUPACN-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide
SMILESCCOc1cc(/C=N/c2ccc(NC(C)=O)cc2)cc(Cl)c1OC
InChIInChI=1S/C18H19ClN2O3/c1-4-24-17-10-13(9-16(19)18(17)23-3)11-20-14-5-7-15(8-6-14)21-12(2)22/h5-11H,4H2,1-3H3,(H,21,22)/b20-11+
InChIKeyAAFOWNFHRFSSJV-RGVLZGJSSA-N
MW346.81 g/mol
LogP4.46
Rot. Bonds6

About N-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide

N-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide (PubChem CID 833853) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide
PubChem CID833853
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide
SMILESCCOc1cc(/C=N/c2ccc(NC(C)=O)cc2)cc(Cl)c1OC
InChIInChI=1S/C18H19ClN2O3/c1-4-24-17-10-13(9-16(19)18(17)23-3)11-20-14-5-7-15(8-6-14)21-12(2)22/h5-11H,4H2,1-3H3,(H,21,22)/b20-11+
InChIKeyAAFOWNFHRFSSJV-RGVLZGJSSA-N
XLogP4.46
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]phenyl]acetamide
CID 126393613
N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 694284
N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide
CID 50887207
2-[2-chloro-6-ethoxy-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215628
N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide
CID 137173872
2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126224022
(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 5412015
(E)-N-(3-acetamidophenyl)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 26103186
N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)acetamide
CID 110515767
methyl 4-[[(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 8764916
(E)-N-(3-acetamido-4-fluorophenyl)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 24657758
[(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea
CID 19617965

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide (CID 833853) is N-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide is CCOc1cc(/C=N/c2ccc(NC(C)=O)cc2)cc(Cl)c1OC.
What is the InChIKey of N-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide?
The InChIKey is AAFOWNFHRFSSJV-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-4-24-17-10-13(9-16(19)18(17)23-3)11-20-14-5-7-15(8-6-14)21-12(2)22/h5-11H,4H2,1-3H3,(H,21,22)/b20-11+.
What are the key properties of N-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide?
N-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide has a molecular weight of 346.81 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide is sourced from PubChem (CID 833853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).