N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide

C17H18ClN3O2 — CID 6178293

IUPACN-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1ccc(Cl)c(C)c1)c1cccc(N)c1
InChIInChI=1S/C17H18ClN3O2/c1-11-8-15(6-7-16(11)18)23-10-17(22)21-20-12(2)13-4-3-5-14(19)9-13/h3-9H,10,19H2,1-2H3,(H,21,22)/b20-12-
InChIKeyJKEJWFBUKVUPPM-NDENLUEZSA-N
MW331.80 g/mol
LogP3.15
Rot. Bonds5

About N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide

N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide (PubChem CID 6178293) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide
PubChem CID6178293
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1ccc(Cl)c(C)c1)c1cccc(N)c1
InChIInChI=1S/C17H18ClN3O2/c1-11-8-15(6-7-16(11)18)23-10-17(22)21-20-12(2)13-4-3-5-14(19)9-13/h3-9H,10,19H2,1-2H3,(H,21,22)/b20-12-
InChIKeyJKEJWFBUKVUPPM-NDENLUEZSA-N
XLogP3.15
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(Z)-N-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-3-methylthiophene-2-carboxamide
CID 28934845
propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927512
2-[4-[(Z)-N-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid
CID 9316726
2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 9316764
2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 71950740
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5419932
ethyl 3-[[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinylidene]butanoate
CID 4659321
N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide
CID 922110
2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide
CID 6062096
2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]acetamide
CID 9316714
2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]acetamide
CID 9316740
N-[1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 922128

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide?
The IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide (CID 6178293) is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide is C/C(=N/NC(=O)COc1ccc(Cl)c(C)c1)c1cccc(N)c1.
What is the InChIKey of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide?
The InChIKey is JKEJWFBUKVUPPM-NDENLUEZSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11-8-15(6-7-16(11)18)23-10-17(22)21-20-12(2)13-4-3-5-14(19)9-13/h3-9H,10,19H2,1-2H3,(H,21,22)/b20-12-.
What are the key properties of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide?
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide has a molecular weight of 331.80 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide is sourced from PubChem (CID 6178293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).