2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethylideneamino)propanamide

C16H17ClN2O3 — CID 2789048

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethylideneamino)propanamide
SMILESCc1cc(OC(C)C(=O)NN=Cc2ccco2)cc(C)c1Cl
InChIInChI=1S/C16H17ClN2O3/c1-10-7-14(8-11(2)15(10)17)22-12(3)16(20)19-18-9-13-5-4-6-21-13/h4-9,12H,1-3H3,(H,19,20)
InChIKeyWPSSSYFTJXDSSE-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.47
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethylideneamino)propanamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethylideneamino)propanamide (PubChem CID 2789048) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethylideneamino)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethylideneamino)propanamide
PubChem CID2789048
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethylideneamino)propanamide
SMILESCc1cc(OC(C)C(=O)NN=Cc2ccco2)cc(C)c1Cl
InChIInChI=1S/C16H17ClN2O3/c1-10-7-14(8-11(2)15(10)17)22-12(3)16(20)19-18-9-13-5-4-6-21-13/h4-9,12H,1-3H3,(H,19,20)
InChIKeyWPSSSYFTJXDSSE-UHFFFAOYSA-N
XLogP3.47
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.47
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-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 19191627
(2S)-2-(4-chlorophenoxy)-N-[[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]propanamide
CID 129437784
N-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide
CID 4612942
N-[(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(4-chloro-3,5-dimethylphenoxy)propanamide
CID 19170281
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanamide
CID 135805022
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 19207892
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
(2R)-2-[4-(difluoromethoxy)phenyl]-N-[(Z)-furan-2-ylmethylideneamino]-3-methylbutanamide
CID 5396307
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide
CID 19191633
(2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide
CID 1014694
2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
CID 4258751
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide
CID 19191588

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethylideneamino)propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethylideneamino)propanamide (CID 2789048) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethylideneamino)propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethylideneamino)propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethylideneamino)propanamide is Cc1cc(OC(C)C(=O)NN=Cc2ccco2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethylideneamino)propanamide?
The InChIKey is WPSSSYFTJXDSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-10-7-14(8-11(2)15(10)17)22-12(3)16(20)19-18-9-13-5-4-6-21-13/h4-9,12H,1-3H3,(H,19,20).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethylideneamino)propanamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethylideneamino)propanamide has a molecular weight of 320.78 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethylideneamino)propanamide is sourced from PubChem (CID 2789048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).