2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide

C19H21ClN2O3 — CID 110515731

IUPAC2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1c(/C=N\NC(=O)Cc2ccc(Cl)cc2)cccc1OC
InChIInChI=1S/C19H21ClN2O3/c1-3-11-25-19-15(5-4-6-17(19)24-2)13-21-22-18(23)12-14-7-9-16(20)10-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,22,23)/b21-13-
InChIKeyPOHTVOCOYSFOGA-BKUYFWCQSA-N
MW360.84 g/mol
LogP3.83
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide

2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide (PubChem CID 110515731) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
PubChem CID110515731
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1c(/C=N\NC(=O)Cc2ccc(Cl)cc2)cccc1OC
InChIInChI=1S/C19H21ClN2O3/c1-3-11-25-19-15(5-4-6-17(19)24-2)13-21-22-18(23)12-14-7-9-16(20)10-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,22,23)/b21-13-
InChIKeyPOHTVOCOYSFOGA-BKUYFWCQSA-N
XLogP3.83
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.83
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-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
CID 110525315
N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
CID 4651811
2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
CID 110524998
2-[[2-(4-methoxyphenyl)acetyl]amino]-N-[(3-methoxy-2-propoxyphenyl)methylideneamino]propanamide
CID 3459146
2-(4-chlorophenyl)-N-[(Z)-(2-heptoxyphenyl)methylideneamino]acetamide
CID 110515792
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
CID 110505829
N-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
CID 4019007
2-fluoro-N-[3-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3269745
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 110506839
4-[[2-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126190416
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 3336064
2-(4-chlorophenyl)-N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379839

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide (CID 110515731) is 2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide is CCCOc1c(/C=N\NC(=O)Cc2ccc(Cl)cc2)cccc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide?
The InChIKey is POHTVOCOYSFOGA-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-3-11-25-19-15(5-4-6-17(19)24-2)13-21-22-18(23)12-14-7-9-16(20)10-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,22,23)/b21-13-.
What are the key properties of 2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide?
2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide has a molecular weight of 360.84 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 110515731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).