2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide

C16H15ClN2O3 — CID 3566595

IUPAC2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide
SMILESCC(C=Cc1ccco1)=NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O3/c1-12(8-9-13-5-4-10-21-13)18-19-16(20)11-22-15-7-3-2-6-14(15)17/h2-10H,11H2,1H3,(H,19,20)
InChIKeyDRQYYNZZOFKSIT-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.52
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide

2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide (PubChem CID 3566595) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide
PubChem CID3566595
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide
SMILESCC(C=Cc1ccco1)=NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O3/c1-12(8-9-13-5-4-10-21-13)18-19-16(20)11-22-15-7-3-2-6-14(15)17/h2-10H,11H2,1H3,(H,19,20)
InChIKeyDRQYYNZZOFKSIT-UHFFFAOYSA-N
XLogP3.52
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.52
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

2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide
CID 6246040
2-(2-bromo-4-methylphenoxy)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide
CID 46501110
2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 7325198
[4-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-(furan-2-yl)prop-2-enoate
CID 3983448
2-chloro-N-[[(Z)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide
CID 129440525
N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide
CID 3998227
2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 92913426
2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide
CID 9315307
2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785318
N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 129360095
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 5416756
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 3367043

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide (CID 3566595) is 2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide is CC(C=Cc1ccco1)=NNC(=O)COc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide?
The InChIKey is DRQYYNZZOFKSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-12(8-9-13-5-4-10-21-13)18-19-16(20)11-22-15-7-3-2-6-14(15)17/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide?
2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide has a molecular weight of 318.76 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide is sourced from PubChem (CID 3566595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).