N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide

C17H18ClN3O2 — CID 5427879

IUPACN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C(/C)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c1-12(13-7-9-14(18)10-8-13)20-21-17(22)11-19-15-5-3-4-6-16(15)23-2/h3-10,19H,11H2,1-2H3,(H,21,22)/b20-12-
InChIKeyFHBQOODYTGNMHK-NDENLUEZSA-N
MW331.80 g/mol
LogP3.30
Rot. Bonds6

About N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide

N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide (PubChem CID 5427879) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide
PubChem CID5427879
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C(/C)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c1-12(13-7-9-14(18)10-8-13)20-21-17(22)11-19-15-5-3-4-6-16(15)23-2/h3-10,19H,11H2,1-2H3,(H,21,22)/b20-12-
InChIKeyFHBQOODYTGNMHK-NDENLUEZSA-N
XLogP3.30
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.30
H-Bond Donors ≤ 52
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-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 6053802
2-(2-chloroanilino)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 5427824
N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 5427894
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 6218177
N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 135574173
2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5427982
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6054821
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 4600843
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6083520
2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide
CID 126365422

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide?
The IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide (CID 5427879) is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide?
The canonical SMILES for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide is COc1ccccc1NCC(=O)N/N=C(/C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide?
The InChIKey is FHBQOODYTGNMHK-NDENLUEZSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-12(13-7-9-14(18)10-8-13)20-21-17(22)11-19-15-5-3-4-6-16(15)23-2/h3-10,19H,11H2,1-2H3,(H,21,22)/b20-12-.
What are the key properties of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide?
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide has a molecular weight of 331.80 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide is sourced from PubChem (CID 5427879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).