N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide

C16H15ClN2O2 — CID 6861729

IUPACN-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/C(Cl)=C/c2ccccc2)c(C)o1
InChIInChI=1S/C16H15ClN2O2/c1-11-8-15(12(2)21-11)16(20)19-18-10-14(17)9-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,20)/b14-9-,18-10+
InChIKeyYNBUUAMUQIZARO-XYZJYNETSA-N
MW302.76 g/mol
LogP3.89
Rot. Bonds4

About N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide

N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 6861729) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide
PubChem CID6861729
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/C(Cl)=C/c2ccccc2)c(C)o1
InChIInChI=1S/C16H15ClN2O2/c1-11-8-15(12(2)21-11)16(20)19-18-10-14(17)9-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,20)/b14-9-,18-10+
InChIKeyYNBUUAMUQIZARO-XYZJYNETSA-N
XLogP3.89
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide
CID 5421742
2-methyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
CID 6878689
N'-[(E)-biphenyl-4-ylmethylidene]-2-methylfuran-3-carbohydrazide
CID 6878959
2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
CID 6880356
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2122451
2,5-dimethyl-N'-(2-phenylpentanoyl)furan-3-carbohydrazide
CID 4355478
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5336453
2,5-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]furan-3-carboxamide
CID 6878417
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7976363
(E)-N'-((E)-2-bromo-3-phenylallylidene)-2-methylfuran-3-carbohydrazide
CID 6868936
2-methyl-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]furan-3-carbohydrazide
CID 6878947
Benzoic acid, 2-phenoxy-, 2-[(5-methyl-2-furanyl)methylene]hydrazide
CID 9836739

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide (CID 6861729) is N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N/N=C/C(Cl)=C/c2ccccc2)c(C)o1.
What is the InChIKey of N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is YNBUUAMUQIZARO-XYZJYNETSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11-8-15(12(2)21-11)16(20)19-18-10-14(17)9-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,20)/b14-9-,18-10+.
What are the key properties of N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide?
N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 6861729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).