2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide

C20H17BrN2O3 — CID 6246040

IUPAC2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide
SMILESCC(/C=C/c1ccco1)=N/NC(=O)COc1ccc(Br)c2ccccc12
InChIInChI=1S/C20H17BrN2O3/c1-14(8-9-15-5-4-12-25-15)22-23-20(24)13-26-19-11-10-18(21)16-6-2-3-7-17(16)19/h2-12H,13H2,1H3,(H,23,24)/b9-8+,22-14-
InChIKeyHTVOGXAGQRZHRD-YQMBCCRCSA-N
MW413.27 g/mol
LogP4.78
Rot. Bonds6

About 2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide

2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide (PubChem CID 6246040) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is 2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide
PubChem CID6246040
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC Name2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide
SMILESCC(/C=C/c1ccco1)=N/NC(=O)COc1ccc(Br)c2ccccc12
InChIInChI=1S/C20H17BrN2O3/c1-14(8-9-15-5-4-12-25-15)22-23-20(24)13-26-19-11-10-18(21)16-6-2-3-7-17(16)19/h2-12H,13H2,1H3,(H,23,24)/b9-8+,22-14-
InChIKeyHTVOGXAGQRZHRD-YQMBCCRCSA-N
XLogP4.78
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 54.78
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-(2-bromo-4-methylphenoxy)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide
CID 46501110
2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide
CID 3566595
2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide
CID 1153983
N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide
CID 3998227
2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 41290473
2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 129437793
2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 129440342
[4-[(Z)-[[2-(2-bromo-4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate
CID 6321739
2-(2-bromo-4-methylphenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5377482
N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 129360095
2-(2-bromo-4-propan-2-ylphenoxy)-N-(furan-2-ylmethylideneamino)acetamide
CID 1416781
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
CID 4629485

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide?
The IUPAC name of 2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide (CID 6246040) is 2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide.
What is the SMILES notation for 2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide?
The canonical SMILES for 2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide is CC(/C=C/c1ccco1)=N/NC(=O)COc1ccc(Br)c2ccccc12.
What is the InChIKey of 2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide?
The InChIKey is HTVOGXAGQRZHRD-YQMBCCRCSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c1-14(8-9-15-5-4-12-25-15)22-23-20(24)13-26-19-11-10-18(21)16-6-2-3-7-17(16)19/h2-12H,13H2,1H3,(H,23,24)/b9-8+,22-14-.
What are the key properties of 2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide?
2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide has a molecular weight of 413.27 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide is sourced from PubChem (CID 6246040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).