N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyphenoxy)propanamide

C17H17ClN2O3 — CID 117071611

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OC(C)C(=O)N/N=C/c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-12(23-16-10-6-5-9-15(16)22-2)17(21)20-19-11-13-7-3-4-8-14(13)18/h3-12H,1-2H3,(H,20,21)/b19-11+
InChIKeyOUZDOGQEIBELQJ-YBFXNURJSA-N
MW332.79 g/mol
LogP3.27
Rot. Bonds6

About N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyphenoxy)propanamide

N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyphenoxy)propanamide (PubChem CID 117071611) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyphenoxy)propanamide
PubChem CID117071611
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OC(C)C(=O)N/N=C/c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-12(23-16-10-6-5-9-15(16)22-2)17(21)20-19-11-13-7-3-4-8-14(13)18/h3-12H,1-2H3,(H,20,21)/b19-11+
InChIKeyOUZDOGQEIBELQJ-YBFXNURJSA-N
XLogP3.27
TPSA59.92 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 ≤ 53.27
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-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide
CID 11835557
(2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 5458000
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 56694783
2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 3348101
N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 5001692
(2S)-2-[2-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]propanoic acid
CID 126239591
N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943122
(2R)-N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 42082100
(2S)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(2-nitrophenoxy)propanamide
CID 5434404
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215445
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 7036505

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyphenoxy)propanamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyphenoxy)propanamide (CID 117071611) is N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyphenoxy)propanamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyphenoxy)propanamide is COc1ccccc1OC(C)C(=O)N/N=C/c1ccccc1Cl.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyphenoxy)propanamide?
The InChIKey is OUZDOGQEIBELQJ-YBFXNURJSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-12(23-16-10-6-5-9-15(16)22-2)17(21)20-19-11-13-7-3-4-8-14(13)18/h3-12H,1-2H3,(H,20,21)/b19-11+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyphenoxy)propanamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyphenoxy)propanamide has a molecular weight of 332.79 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 117071611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).