N-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide

C14H12Cl2N4O2 — CID 4749356

IUPACN-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide
SMILESNC(=NNC(=O)COc1ccc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C14H12Cl2N4O2/c15-10-1-2-12(11(16)7-10)22-8-13(21)19-20-14(17)9-3-5-18-6-4-9/h1-7H,8H2,(H2,17,20)(H,19,21)
InChIKeyHDWYFYNBPCJCRR-UHFFFAOYSA-N
MW339.18 g/mol
LogP2.20
Rot. Bonds5

About N-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide

N-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 4749356) has the molecular formula C14H12Cl2N4O2 and a molecular weight of 339.18 g/mol. Its IUPAC name is N-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID4749356
Molecular FormulaC14H12Cl2N4O2
Molecular Weight339.18 g/mol
Exact Mass338.03
IUPAC NameN-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide
SMILESNC(=NNC(=O)COc1ccc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C14H12Cl2N4O2/c15-10-1-2-12(11(16)7-10)22-8-13(21)19-20-14(17)9-3-5-18-6-4-9/h1-7H,8H2,(H2,17,20)(H,19,21)
InChIKeyHDWYFYNBPCJCRR-UHFFFAOYSA-N
XLogP2.20
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 108541628
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1354153
N-[1-(4-aminophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 3486285
2-(2,4-dichlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 1351524
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7957341
4-(2,4-dichlorophenoxy)-N-(1-pyridin-4-ylethylideneamino)butanamide
CID 4136628
2-(2,4-dichlorophenoxy)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide
CID 6135498
[[amino(pyridin-4-yl)methylidene]amino] 2-(4-chloro-2-methylphenoxy)acetate
CID 2869532
2-(2,4-dichlorophenoxy)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6015085
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 4121523
2-(2,4-dichlorophenoxy)-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide
CID 9060430
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993156

Frequently Asked Questions

What is the IUPAC name of N-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide (CID 4749356) is N-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide is NC(=NNC(=O)COc1ccc(Cl)cc1Cl)c1ccncc1.
What is the InChIKey of N-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is HDWYFYNBPCJCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O2/c15-10-1-2-12(11(16)7-10)22-8-13(21)19-20-14(17)9-3-5-18-6-4-9/h1-7H,8H2,(H2,17,20)(H,19,21).
What are the key properties of N-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide?
N-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 339.18 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 4749356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).