(2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide

C18H17ClN2O3 — CID 93092105

IUPAC(2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)N/N=C1/CCOc2ccccc21
InChIInChI=1S/C18H17ClN2O3/c1-12(24-17-9-5-3-7-14(17)19)18(22)21-20-15-10-11-23-16-8-4-2-6-13(15)16/h2-9,12H,10-11H2,1H3,(H,21,22)/b20-15-/t12-/m0/s1
InChIKeyZQQKNVFRPZPULX-BMOWLENRSA-N
MW344.80 g/mol
LogP3.41
Rot. Bonds4

About (2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide

(2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide (PubChem CID 93092105) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide
PubChem CID93092105
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)N/N=C1/CCOc2ccccc21
InChIInChI=1S/C18H17ClN2O3/c1-12(24-17-9-5-3-7-14(17)19)18(22)21-20-15-10-11-23-16-8-4-2-6-13(15)16/h2-9,12H,10-11H2,1H3,(H,21,22)/b20-15-/t12-/m0/s1
InChIKeyZQQKNVFRPZPULX-BMOWLENRSA-N
XLogP3.41
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.41
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

N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(2-nitrophenoxy)propanamide
CID 10736902
tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate
CID 8972503
(2,3-dihydrochromen-4-ylideneamino) 2-chlorobenzoate
CID 840067
(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
CID 54990962
2-(2-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]propanehydrazide
CID 4932286
(2S)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide
CID 124538015
(2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide
CID 124538013
2-(3-chlorophenoxy)-N-[(Z)-(6-methyl-1-benzofuran-3-ylidene)amino]propanamide
CID 90481684
(2R)-2-(2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7815932
methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 60739964
(2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide
CID 97252685
(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 42563640

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide (CID 93092105) is (2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide is C[C@H](Oc1ccccc1Cl)C(=O)N/N=C1/CCOc2ccccc21.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide?
The InChIKey is ZQQKNVFRPZPULX-BMOWLENRSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-12(24-17-9-5-3-7-14(17)19)18(22)21-20-15-10-11-23-16-8-4-2-6-13(15)16/h2-9,12H,10-11H2,1H3,(H,21,22)/b20-15-/t12-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide?
(2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide has a molecular weight of 344.80 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide is sourced from PubChem (CID 93092105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).