N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide

C18H19F2N3O3 — CID 6218177

IUPACN-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C(/C)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H19F2N3O3/c1-12(13-6-5-7-14(10-13)26-18(19)20)22-23-17(24)11-21-15-8-3-4-9-16(15)25-2/h3-10,18,21H,11H2,1-2H3,(H,23,24)/b22-12-
InChIKeyHLYXCBMCFALAGH-UUYOSTAYSA-N
MW363.36 g/mol
LogP3.25
Rot. Bonds8

About N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide

N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide (PubChem CID 6218177) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide
PubChem CID6218177
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC NameN-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C(/C)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H19F2N3O3/c1-12(13-6-5-7-14(10-13)26-18(19)20)22-23-17(24)11-21-15-8-3-4-9-16(15)25-2/h3-10,18,21H,11H2,1-2H3,(H,23,24)/b22-12-
InChIKeyHLYXCBMCFALAGH-UUYOSTAYSA-N
XLogP3.25
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 5427879
N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 5427894
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 4600843
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 6053802
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 6162109
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide
CID 6169324
N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 135574173
3-(difluoromethoxy)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7719984
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline
CID 9076263
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6083520
3,5-dimethoxy-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]benzamide
CID 9461084
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide?
The IUPAC name of N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide (CID 6218177) is N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide.
What is the SMILES notation for N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide?
The canonical SMILES for N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide is COc1ccccc1NCC(=O)N/N=C(/C)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide?
The InChIKey is HLYXCBMCFALAGH-UUYOSTAYSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c1-12(13-6-5-7-14(10-13)26-18(19)20)22-23-17(24)11-21-15-8-3-4-9-16(15)25-2/h3-10,18,21H,11H2,1-2H3,(H,23,24)/b22-12-.
What are the key properties of N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide?
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide has a molecular weight of 363.36 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide is sourced from PubChem (CID 6218177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).