2-(3-chlorophenoxy)-N-[(Z)-(6-methyl-1-benzofuran-3-ylidene)amino]propanamide

C18H17ClN2O3 — CID 90481684

IUPAC2-(3-chlorophenoxy)-N-[(Z)-(6-methyl-1-benzofuran-3-ylidene)amino]propanamide
SMILESCc1ccc2c(c1)OC/C2=N\NC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O3/c1-11-6-7-15-16(10-23-17(15)8-11)20-21-18(22)12(2)24-14-5-3-4-13(19)9-14/h3-9,12H,10H2,1-2H3,(H,21,22)/b20-16+
InChIKeyHZBLWKJSQYUHRY-CAPFRKAQSA-N
MW344.80 g/mol
LogP3.33
Rot. Bonds4

About 2-(3-chlorophenoxy)-N-[(Z)-(6-methyl-1-benzofuran-3-ylidene)amino]propanamide

2-(3-chlorophenoxy)-N-[(Z)-(6-methyl-1-benzofuran-3-ylidene)amino]propanamide (PubChem CID 90481684) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(Z)-(6-methyl-1-benzofuran-3-ylidene)amino]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(Z)-(6-methyl-1-benzofuran-3-ylidene)amino]propanamide
PubChem CID90481684
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name2-(3-chlorophenoxy)-N-[(Z)-(6-methyl-1-benzofuran-3-ylidene)amino]propanamide
SMILESCc1ccc2c(c1)OC/C2=N\NC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O3/c1-11-6-7-15-16(10-23-17(15)8-11)20-21-18(22)12(2)24-14-5-3-4-13(19)9-14/h3-9,12H,10H2,1-2H3,(H,21,22)/b20-16+
InChIKeyHZBLWKJSQYUHRY-CAPFRKAQSA-N
XLogP3.33
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 ≤ 53.33
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

(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 3382354
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 30794885
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2R)-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(3-chlorophenoxy)propanamide
CID 28839072
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide
CID 11835557
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(Z)-(6-methyl-1-benzofuran-3-ylidene)amino]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(Z)-(6-methyl-1-benzofuran-3-ylidene)amino]propanamide (CID 90481684) is 2-(3-chlorophenoxy)-N-[(Z)-(6-methyl-1-benzofuran-3-ylidene)amino]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(Z)-(6-methyl-1-benzofuran-3-ylidene)amino]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(Z)-(6-methyl-1-benzofuran-3-ylidene)amino]propanamide is Cc1ccc2c(c1)OC/C2=N\NC(=O)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(Z)-(6-methyl-1-benzofuran-3-ylidene)amino]propanamide?
The InChIKey is HZBLWKJSQYUHRY-CAPFRKAQSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-11-6-7-15-16(10-23-17(15)8-11)20-21-18(22)12(2)24-14-5-3-4-13(19)9-14/h3-9,12H,10H2,1-2H3,(H,21,22)/b20-16+.
What are the key properties of 2-(3-chlorophenoxy)-N-[(Z)-(6-methyl-1-benzofuran-3-ylidene)amino]propanamide?
2-(3-chlorophenoxy)-N-[(Z)-(6-methyl-1-benzofuran-3-ylidene)amino]propanamide has a molecular weight of 344.80 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(Z)-(6-methyl-1-benzofuran-3-ylidene)amino]propanamide is sourced from PubChem (CID 90481684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).