(2S)-2-(4-chlorophenoxy)-N-[[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]propanamide

C17H17ClN2O3 — CID 129437784

IUPAC(2S)-2-(4-chlorophenoxy)-N-[[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]propanamide
SMILESC/C(C=NNC(=O)[C@H](C)Oc1ccc(Cl)cc1)=C/c1ccco1
InChIInChI=1S/C17H17ClN2O3/c1-12(10-16-4-3-9-22-16)11-19-20-17(21)13(2)23-15-7-5-14(18)6-8-15/h3-11,13H,1-2H3,(H,20,21)/b12-10-,19-11?/t13-/m0/s1
InChIKeyBPUNZVHMNBUMQO-YUCYCPFMSA-N
MW332.79 g/mol
LogP3.91
Rot. Bonds6

About (2S)-2-(4-chlorophenoxy)-N-[[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]propanamide

(2S)-2-(4-chlorophenoxy)-N-[[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]propanamide (PubChem CID 129437784) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-[[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-[[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]propanamide
PubChem CID129437784
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-[[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]propanamide
SMILESC/C(C=NNC(=O)[C@H](C)Oc1ccc(Cl)cc1)=C/c1ccco1
InChIInChI=1S/C17H17ClN2O3/c1-12(10-16-4-3-9-22-16)11-19-20-17(21)13(2)23-15-7-5-14(18)6-8-15/h3-11,13H,1-2H3,(H,20,21)/b12-10-,19-11?/t13-/m0/s1
InChIKeyBPUNZVHMNBUMQO-YUCYCPFMSA-N
XLogP3.91
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.91
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-ylmethylideneamino)propanamide
CID 2789048
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-4-propoxybenzamide
CID 3749870
5-chloro-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide
CID 126030334
(2R)-2-(4-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 5393226
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide
CID 903054
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 689244
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 706908
2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 19168494
(2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 5396013
(2R)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
CID 136766938

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]propanamide (CID 129437784) is (2S)-2-(4-chlorophenoxy)-N-[[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-[[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-[[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]propanamide is C/C(C=NNC(=O)[C@H](C)Oc1ccc(Cl)cc1)=C/c1ccco1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-[[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]propanamide?
The InChIKey is BPUNZVHMNBUMQO-YUCYCPFMSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-12(10-16-4-3-9-22-16)11-19-20-17(21)13(2)23-15-7-5-14(18)6-8-15/h3-11,13H,1-2H3,(H,20,21)/b12-10-,19-11?/t13-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-[[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]propanamide?
(2S)-2-(4-chlorophenoxy)-N-[[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]propanamide has a molecular weight of 332.79 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-[[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]propanamide is sourced from PubChem (CID 129437784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).